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BioLiP

PDB CCD ID: 5BX
Number of entries in BioLiP: 4
Chemical formula: C14 H15 N3 O2
InChI: InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1
InChIKey: GNTVWGDQPXCYBV-PELKAZGASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC
CACTVS 3.385CNC1=NC(=O)[C@@H](O1)[C@H](C)c2c[nH]c3ccccc23
ACDLabs 12.01CNC=1OC(C(N=1)=O)C(c2c3c(nc2)cccc3)C
CACTVS 3.385CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3ccccc23
OpenEye OEToolkits 1.9.2CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3)NC
Name:(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one;
Indolemycin;
Indolmycin
ChEMBL: CHEMBL417852
ZINC: ZINC000003964188
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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