BioLiP

PDB

BioLiP

PDB CCD ID:

BY4

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O

InChI:

InChI=1S/C9H10N2O/c1-5-3-2-4-6-7(5)8(10)9(12)11-6/h2-4,8H,10H2,1H3,(H,11,12)/t8-/m1/s1

InChIKey:

DXMQUOQQGLIRSR-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc2NC(=O)[CH](N)c12
OpenEye OEToolkits 1.7.6	Cc1cccc2c1[C@H](C(=O)N2)N
CACTVS 3.385	Cc1cccc2NC(=O)[C@H](N)c12
OpenEye OEToolkits 1.7.6	Cc1cccc2c1C(C(=O)N2)N

Name:

(3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one

ZINC:

ZINC000100287409

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).