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

NameCHEMBL410145
Molecular formulaC82H141N35O21
IUPAC name(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[2-(benzylamino)acetyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-N-[(2S)-5-(diaminoamino)-1-hydrazinyl-1,5-dioxopentan-2-yl]butanediamide
Molecular weight1953.25
Hydrogen bond acceptor31
Hydrogen bond donor33
XlogP-13.3
SynonymsN/A
Inchi KeyGDCRZSXFKANIRD-LGCGZHPXSA-N
Inchi IDInChI=1S/C82H141N35O21/c1-45(103-63(123)43-102-79(138)66(47(3)119)115-76(135)57(37-48-19-6-4-7-20-48)105-64(124)42-101-62(122)41-100-61(121)40-96-39-49-21-8-5-9-22-49)67(126)106-53(26-16-34-97-80(87)88)70(129)110-52(25-12-15-33-85)74(133)114-59(44-118)77(136)104-46(2)68(127)107-54(27-17-35-98-81(89)90)71(130)108-50(23-10-13-31-83)69(128)111-55(28-18-36-99-82(91)92)72(131)109-51(24-11-14-32-84)73(132)113-58(38-60(86)120)75(134)112-56(78(137)116-93)29-30-65(125)117(94)95/h4-9,19-22,45-47,50-59,66,96,118-119H,10-18,23-44,83-85,93-95H2,1-3H3,(H2,86,120)(H,100,121)(H,101,122)(H,102,138)(H,103,123)(H,104,136)(H,105,124)(H,106,126)(H,107,127)(H,108,130)(H,109,131)(H,110,129)(H,111,128)(H,112,134)(H,113,132)(H,114,133)(H,115,135)(H,116,137)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-/m0/s1
PubChem CID44388473
ChEMBLCHEMBL410145
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
93498Nociceptin receptorP41146OPRL1Homo sapiens (Human)370
93499Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367
93500Nociceptin receptorP47748OPRL1Cavia porcellus (Guinea pig)370

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