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

You can:

Ligand

NameAva9,10,Ava14,15
Molecular formulaC49H82N16O11S3
IUPAC name31-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-19-[3-(diaminomethylideneamino)propyl]-13-[(4-hydroxyphenyl)methyl]-28-(2-methylsulfanylethyl)-6,12,15,18,21,27,30-heptaoxo-16-propan-2-yl-1,2-dithia-5,11,14,17,20,26,29-heptazacyclodotriacontane-4-carboxamide
Molecular weight1167.48
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP-2.5
SynonymsBDBM85952
Inchi KeyGCICFXMYTKDVNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C49H82N16O11S3/c1-28(2)40-47(76)63-35(25-30-15-17-31(67)18-16-30)43(72)56-21-8-6-14-39(69)61-36(41(50)70)26-78-79-27-37(64-44(73)32(59-29(3)66)11-9-22-57-48(51)52)46(75)62-34(19-24-77-4)42(71)55-20-7-5-13-38(68)60-33(45(74)65-40)12-10-23-58-49(53)54/h15-18,28,32-37,40,67H,5-14,19-27H2,1-4H3,(H2,50,70)(H,55,71)(H,56,72)(H,59,66)(H,60,68)(H,61,69)(H,62,75)(H,63,76)(H,64,73)(H,65,74)(H4,51,52,57)(H4,53,54,58)
PubChem CID57340380
ChEMBLN/A
IUPHARN/A
BindingDB85952
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
555806Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
92949Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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