Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

Ligand

Name	dopamine
Molecular formula	C8H11NO2
IUPAC name	4-(2-aminoethyl)benzene-1,2-diol
Molecular weight	153.181
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	-1.0
Synonyms	KBioGR_001129 L000232 MFCD00130258 NCGC00015519-08 NCGC00096050-05 Pyrocatechol, 4-(2-aminoethyl)- Sinemet FT-0698513 SR-01000075366 Intropin [hydrochloride] TX-016804 KBio2_004956 13510-EP2308828A2 D07870 13510-EP2311818A1 153C5321-5FEE-4B0B-8925-F388F0EEEBD1 3,4-dihydroxyphenethylamine 1,2-Benzenediol, 4-(2-aminoethyl)- 4-(2-Aminoethyl)-1 13510-EP2272847A1 4-(2-Aminoethyl)pyrocatechol 13510-EP2284170A1 a-(3,4-Dihydroxyphenyl)-b-aminoethane 13510-EP2295437A1 AKOS003790978 13510-EP2298775A1 Biomol-NT_000001 13510-EP2305648A1 CCG-204675 KBioSS_001492 Lopac0_000586 NCGC00015519-02 NCGC00015519-11 NSC-173182 Pyrocatechol, 4-(2-aminoethyl)-, hydrochloride DSSTox_CID_2420 Spectrum2_001023 Hydroxytyramin ST2405321 KBio1_000780 VTD58H1Z2X KBio2_007524 CHEMBL59 13510-EP2308875A1 DB00988 13510-EP2311835A1 Dopamine [INN:BAN] 2-(3,4-Dihydroxyphenyl)-1-ethanamine (3H)-Dopamine 3-Hydroxtyramine 1,2-Benzenediol, 4-(2-aminoethyl)-, labeled with tritium 4-(2-Aminoethyl)-1,2-bezenediol 13510-EP2280010A2 4CH-018780 13510-EP2287161A1 AB00053463_14 13510-EP2298313A1 ANW-54385 13510-EP2301933A1 BP-23276 13510-EP2305656A1 KBio3_002867 KW-3-060 MCULE-7558764100 NCGC00015519-05 NCGC00096050-03 Oprea1_088821 SBI-0050568.P004 DTXSID6022420 Spectrum5_000945 intropin Tox21_110167 KBio2_002484 13510-EP2305675A1 cMAP_000065 13510-EP2311802A1 Dopamina 13510-EP2316836A1 2-(4-Hydroxy-5-oxylatophenyl)-1-ethanaminium .beta.-(3,4-Dihydroxyphenyl)ethylamine hydrochloride 3-Hydroxytyramine HCl salt 13510-EP2272537A2 4-(2-aminoethyl)benzene-1,2-diol;hydrochloride 13510-EP2281819A1 62-31-7 (HYDROCHLORIDE) 13510-EP2287166A2 AC1Q54AY 13510-EP2298758A1 BDBM55121 13510-EP2305640A2 C03758 KBioGR_002388 LDP MolPort-001-641-000 NCGC00015519-09 NINDS_000780 Pyrocatechol, 4-(2-aminoethyl)- (8CI) SPBio_001205 GTPL940 SR-01000075366-7 IP 498 UNII-VTD58H1Z2X KBio2_005052 CHEBI:18243 13510-EP2308867A2 D0T7OW 13510-EP2311827A1 Dopamine (INN) 2-(3, 4-Dihydroxyphenyl)ethylamine 3,4-Dihydroxyphenylethylamine 1,2-Benzenediol, 4-(2-aminoethyl)- (9CI) 4-(2-Aminoethyl)-1,2-benzenediol 13510-EP2275420A1 4-(2-aminoethyl)pyrocatechol;hydrochloride 13510-EP2284171A1 AB00053463-12 13510-EP2295439A1 alpha-(3,4-Dihydroxyphenyl)-beta-aminoethane 13510-EP2298776A1 bmse000909 13510-EP2305650A1 KBioSS_002393 LS-159 NCGC00015519-03 NCGC00096050-01 NSC169105 Revimine DSSTox_GSID_22420 Spectrum3_000406 hydroxytyramine STK301601 KBio2_001492 VYFYYTLLBUKUHU-UHFFFAOYSA-N KBio2_007620 cid_65340 13510-EP2311494A1 DivK1c_000780 13510-EP2314571A2 Dopaminum 2-(3,4-dihydroxyphenyl)ethylamine 3-Hydroxytyramine 13510-EP2269989A1 4-(2-aminoethyl)-pyrocatechol 13510-EP2281559A1 51-61-6 13510-EP2287162A1 AC1L19S5 13510-EP2298731A1 ASL 279 13510-EP2305260A1 BPBio1_001123 13510-EP2305659A1 KBio3_002962 L-DOPAMINE Medopa (TN) NCGC00015519-07 NCGC00096050-04 Oxytyramine SCHEMBL8505 EINECS 200-110-0 Spectrum_001012 Intropin (Salt/Mix) Tox21_110167_1 KBio2_004060 13510-EP2305689A1 CTK4E3164 13510-EP2311803A1 Dopamina [INN-Spanish] 13510-EP2371814A1 2-benzenediol 1, 4-(2-aminoethyl)- 4-(2-Amino-ethyl)-benzene-1,2-diol 13510-EP2272825A2 4-(2-Aminoethyl)catechol 13510-EP2284169A1 13510-EP2292620A2 AJ-08579 13510-EP2298759A1 BIDD:ER0506 13510-EP2305644A1 CAS-51-61-6 KBioGR_002484 Lopac-H-8502 NCGC00015519-01 NCGC00015519-10 NSC 173182 Pyrocatechol, 4-(2-aminoethyl)-(8CI) Dophamine SPECTRUM1505155 HSDB 3068 ST048774 KB-237403 UPCMLD0ENAT5885989:001 KBio2_006628 13510-EP2308870A2 13510-EP2311828A1 Dopamine (USAN)(hydrochloride) 2-(3,4-dihydroxyphenyl) ethylamine 3- HYDROXYTYRAMINE 1,2-Benzenediol, 4-(2-aminoethyl)-(9CI) 4-(2-Aminoethyl)-1,2-benzenediol # 13510-EP2277882A1 4-(2-azanylethyl)benzene-1,2-diol;hydrochloride 13510-EP2286811A1 AB00053463_13 13510-EP2298312A1 AN-41611 13510-EP2301540A1 bmse000933 13510-EP2305652A2 KBioSS_002491 m-Hydroxytyramine- NCGC00015519-04 NCGC00096050-02 NSC173182 SBB004044 DSSTox_RID_76584 Spectrum4_000525 IDI1_000780 T7923 KBio2_002388 ZINC33882 KBio3_001152 cMAP_000036 13510-EP2311801A1 Dopamin 13510-EP2316470A2 Dopaminum [INN-Latin] 2-(3,4-dihydroxyphenyl)ethylamine3,4-dihydroxyphenethylamine3-hydroxytyramine; DA; Intropin; Revivan; Oxytyramine .alpha.-(3,4-Dihydroxyphenyl)-.beta.-aminoethane 3-Hydroxytyramine Hydrobromide 13510-EP2270011A1 4-(2-Aminoethyl)benzene-1,2-diol 13510-EP2281815A1 13510-EP2287165A2 AC1Q54AX 13510-EP2298734A2 BBL013043 13510-EP2305633A1 BSPBio_001932 13510-EP2305664A1 [ Show all ]
Inchi Key	VYFYYTLLBUKUHU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
PubChem CID	681
ChEMBL	CHEMBL59
IUPHAR	940
BindingDB	55121
DrugBank	DB00988
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	<75.0 %	None	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218