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 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

You can:

Ligand

NameCHEMBL165554
Molecular formulaC31H25N3O5S
IUPAC name9-[4-[(2-phenylbenzoyl)amino]benzoyl]-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-2-sulfonic acid
Molecular weight551.617
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.4
SynonymsBDBM50125108
N-[4-(2-Sulfo-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-6-ylcarbonyl)phenyl]-2-phenylbenzamide
6-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-2-sulfonic acid
SCHEMBL6631849
AUWVYYFTMWCNTN-UHFFFAOYSA-N
[ Show all ]
Inchi KeyAUWVYYFTMWCNTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H25N3O5S/c35-29(24-11-5-4-10-23(24)20-8-2-1-3-9-20)32-22-17-15-21(16-18-22)31(36)34-19-7-12-25-28-26(13-6-14-27(28)34)33-30(25)40(37,38)39/h1-6,8-11,13-18,33H,7,12,19H2,(H,32,35)(H,37,38,39)
PubChem CID9850567
ChEMBLCHEMBL165554
IUPHARN/A
BindingDB50125108
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15037Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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