SEQ2FUN

BioLiP

PDB CCD ID: ILV
Number of entries in BioLiP: 2
Chemical formula: C17 H23 N3 O2
InChI: InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
InChIKey: LUZOFMGZMUZSSK-LRDDRELGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
ACDLabs 12.01CC(C1N(c3c2c(CC(NC1=O)CO)cnc2ccc3)C)C
OpenEye OEToolkits 1.9.2CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(ccc3)N1C)CO
CACTVS 3.385CC(C)[CH]1N(C)c2cccc3[nH]cc(C[CH](CO)NC1=O)c23
OpenEye OEToolkits 1.9.2CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO
Name:(2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one;
Indolactam V
ChEMBL: CHEMBL27266
ZINC: ZINC000002517049
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).