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	Nociceptin receptor
Species	Mus musculus (Mouse)
Gene	Oprl1
Synonym	NOP receptor NOP-r NOPr OP4 ORGC Orphanin FQ receptor NOCIR nociceptin/orphanin FQ receptor nociceptin receptor ORL1 N/OFQ receptor MOR-C KOR-3 kappa3-related opioid receptor Kappa-type 3 opioid receptor K3 opiate receptor XOR1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	367
Amino acid sequence	MESLFPAPFWEVLYGSHFQGNLSLLNETVPHHLLLNASHSAFLPLGLKVTIVGLYLAVCIGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPAPQDYWGPVFAICIFLFSFIIPVLIISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLVQGLGVQPGSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALHREMQVSDRVRSIAKDVGLGCKTSETVPRPA
UniProt	P35377
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3621
IUPHAR	320
DrugBank	N/A

Ligand

Name	CHEMBL412606
Molecular formula	C61H100N22O16
IUPAC name	(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[2-[[2-[[2-[(4-hydroxyphenyl)methylamino]acetyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Molecular weight	1397.61
Hydrogen bond acceptor	21
Hydrogen bond donor	23
XlogP	-7.3
Synonyms	N/A
Inchi Key	NIBCKHVOTZAIJD-DNZAOUQTSA-N
Inchi ID	InChI=1S/C61H100N22O16/c1-34(75-48(89)32-74-59(99)50(36(3)85)83-57(97)44(27-37-13-5-4-6-14-37)77-49(90)31-73-47(88)30-72-46(87)29-69-28-38-19-21-39(86)22-20-38)52(92)79-43(18-12-26-71-61(67)68)55(95)81-41(16-8-10-24-63)56(96)82-45(33-84)58(98)76-35(2)53(93)80-42(17-11-25-70-60(65)66)54(94)78-40(51(64)91)15-7-9-23-62/h4-6,13-14,19-22,34-36,40-45,50,69,84-86H,7-12,15-18,23-33,62-63H2,1-3H3,(H2,64,91)(H,72,87)(H,73,88)(H,74,99)(H,75,89)(H,76,98)(H,77,90)(H,78,94)(H,79,92)(H,80,93)(H,81,95)(H,82,96)(H,83,97)(H4,65,66,70)(H4,67,68,71)/t34-,35-,36+,40-,41-,42-,43-,44-,45-,50-/m0/s1
PubChem CID	10701675
ChEMBL	CHEMBL412606
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3162.28 nM	PMID10956188	ChEMBL

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