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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	gabapentin
Molecular formula	C9H17NO2
IUPAC name	2-[1-(aminomethyl)cyclohexyl]acetic acid
Molecular weight	171.24
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-1.1
Synonyms	MolPort-000-883-862 DM-5689 NCGC00015466-08 Fanatrex Gabapentin GR 1-(Aminomethyl)cyclohexaneacetic acid Gabapentin, Pharmaceutical Secondary Standard; Certified Reference Material 2-[1-(aminomethyl)cyclohexyl]acetic acid Gabapentine [INN-French] AC1L1FYE GBN ANW-43124 GTPL5483 BPBio1_000993 HMS3714N03 CCRIS 7210 Lopac-G-154 CTK3J2213 Neuontin NSC742194 Prestwick3_000861 SBI-0206904.P001 SR-01000000019-11 Tocris-0806 Vultin D0J0ZS NCGC00015466-03 DSSTox_RID_75350 NCGC00016891-01 G0318 Gabapentin solution, 10 mg/mL in methanol, ampule of 1 mL, certified reference material 1-aminomethyl cyclohexaneacetic acid Gabapentin-ER 6CW7F3G59X Gabapentino [INN-Spanish] ACT03340 GOE 3450 Aventis brand of gabapentin HMS2089J03 BSPBio_000901 I06-0677 CHEMBL940 LS-7194 Neurontin (TN) Pharmascience brand of gabapentin RTR-020802 Sefelsa ST2410212 Tox21_500582 ZINC4949 MFCD00865286 DDS-2003 NCGC00015466-06 EN300-52516 NCGC00021545-05 Gabapentin (JAN/USAN/INN) 1-(Aminomethyl)-cyclohexaneacetic acid; Neurontin Gabapentin [USAN:USP:INN:BAN] 2-(1-(aminomethyl)cyclohexyl)acetic acid gabapentina AB1000455 Gabapentinum [INN-Latin] AM20070538 Gralise BDBM50080153 HMS3261F06 CAS-60142-96-3 KSC492E1H CPD000058311 Novopharm brand of gabapentin Prestwick1_000861 SAM002589946 SPBio_002822 Therapentin-90 UGJMXCAKCUNAIE-UHFFFAOYSA-N Cyclohexaneacetic acid, 1-(aminomethyl)- NCGC00015466-01 DSSTox_CID_74 NCGC00015466-09 FT-0626586 Gabapentin Hexal 1-(Aminomethyl)cyclohexaneaceticAcid Gabapentin, solid 42G963 gabapentinium AC1Q53PH Go 3450 Apo-Gabapentin Hexal brand of gabapentin BR-35803 HSDB 7364 CHEBI:42797 Lopac0_000582 Neurentin Parke Davis brand of gabapentin Prestwick_151 SC-12130 SR-01000000019-2 Tox21_110157 Warner-Lambert brand of gabapentin NCGC00015466-04 DTXSID0020074 NCGC00021545-02 Gabapen (1-Aminomethyl-cyclohexyl)-acetic acid Gabapentin Stada 1-aminomethyl-1-cyclohexane-acetic acid Gabapentin-ratiopharm AB0068842 Gabapentino [Spanish] AJ-08236 GOE 3450; CI 945; GO 3450 BBL010794 HMS2097N03 C07018 KS-00000AF6 CI 945 M-2788 Novo-Gabapentin PMS-Gabapentin s2133 Serada Stadapharm brand of gabapentin TR-020802 [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID MLS000069358 DM-1796 NCGC00015466-07 EU-0100582 gabapentin (Neurontin) 1-(aminomethyl)cyclohexanacetic acid Gabapentin, European Pharmacopoeia (EP) Reference Standard 2-[(aminomethyl)cyclohexyl]acetic acid Gabapentine AC-1485 Gabapetin AN-14914 Gralise (TN) BIDD:GT0656 HMS3650A20 CCG-204671 L000733 CS-1545 NCGC00261267-01 NSC-742194 Prestwick2_000861 SBB066157 SR-01000000019 TL8003814 UNII-6CW7F3G59X D00332 NCGC00015466-02 DSSTox_GSID_20074 NCGC00015466-11 G-154 Gabapentin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 1-(aminomethyl)cyclohexyl-acetic Acid Gabapentin, United States Pharmacopeia (USP) Reference Standard 60142-96-3 Gabapentino Aclonium GOE 2450 Apotex brand of gabapentin HMS1570N03 BRN 2359739 HY-A0057 LP00582 Neurontin Pfizer brand of gabapentin ratiopharm brand of gabapentin SCHEMBL8343 SR-01000000019-6 Tox21_110157_1 Z1258578343 MCULE-5392848565 DB00996 NCGC00015466-05 EINECS 262-076-3 NCGC00021545-04 1-(Aminomethyl)-cyclohexaneacetic acid Gabapentin [USAN:INN:BAN] 1-Aminomethyl-1cyclohexane-acetic acid GABAPENTIN; NEURONTIN AB07485 Gabapentinum AKOS000280865 Goe-3450 BCP25698 HMS2236O03 C9H17NO2 KS-1064 CI-945 Novo-Gabapentine Prestwick0_000861 SAM002548985 SMR000058311 STK598009 TRA0097671 [ Show all ]
Inchi Key	UGJMXCAKCUNAIE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
PubChem CID	3446
ChEMBL	CHEMBL940
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB00996
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
336238	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
552086	Gamma-aminobutyric acid type B receptor subunit 1	Q9UBS5	GABBR1	Homo sapiens (Human)	961
552085	Gamma-aminobutyric acid type B receptor subunit 2	O75899	GABBR2	Homo sapiens (Human)	941
336236	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
336237	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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