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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

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GPCR

NameNeuromedin-B receptor
SpeciesHomo sapiens (Human)
GeneNMBR
SynonymBB1 receptor
Epididymis tissue protein Li 185a
BB1
neuromedin-B-preferring bombesin receptor
NMB-R
[ Show all ]
DiseaseN/A
Length390
Amino acid sequenceMPSKSLSNLSVTTGANESGSVPEGWERDFLPASDGTTTELVIRCVIPSLYLLIITVGLLGNIMLVKIFITNSAMRSVPNIFISNLAAGDLLLLLTCVPVDASRYFFDEWMFGKVGCKLIPVIQLTSVGVSVFTLTALSADRYRAIVNPMDMQTSGALLRTCVKAMGIWVVSVLLAVPEAVFSEVARISSLDNSSFTACIPYPQTDELHPKIHSVLIFLVYFLIPLAIISIYYYHIAKTLIKSAHNLPGEYNEHTKKQMETRKRLAKIVLVFVGCFIFCWFPNHILYMYRSFNYNEIDPSLGHMIVTLVARVLSFGNSCVNPFALYLLSESFRRHFNSQLCCGRKSYQERGTSYLLSSSAVRMTSLKSNAKNMVTNSVLLNGHSMKQEMAL
UniProtP28336
Protein Data BankN/A
GPCR-HGmod modelP28336
3D structure modelThis predicted structure model is from GPCR-EXP P28336.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3636
IUPHAR38
DrugBankN/A

Ligand

NameBDBM50295230
Molecular formulaC19H16ClFN2O
IUPAC name4-(2-chloro-6-fluorophenyl)-7-methyl-2,3a,4,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepin-3-one
Molecular weight342.798
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
Synonyms10-(2-chloro-6-fluorophenyl)-7-methyl-2,3,9,10-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-1(4H)-one
Inchi KeyHPIKIUCVJUGZSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16ClFN2O/c1-10-5-6-13-15(9-10)23-19(17-11(20)3-2-4-12(17)21)18-14(22-13)7-8-16(18)24/h2-6,9,18-19,23H,7-8H2,1H3
PubChem CID91934301
ChEMBLN/A
IUPHARN/A
BindingDB50295230
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5010000.0 nMPMID19553112BindingDB

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