BioLiP

PDB

BioLiP

PDB CCD ID:

9I0

Number of entries in BioLiP:

Chemical formula:

C19 H25 N O3

InChI:

InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1

InChIKey:

WPGGHFDDFPHPOB-BBWFWOEESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC(CC(=O)N2CC3CCCCC3C2)C(=O)O
CACTVS 3.385	OC(=O)[CH](CC(=O)N1C[CH]2CCCC[CH]2C1)Cc3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C[C@@H](CC(=O)N2C[C@H]3CCCC[C@H]3C2)C(=O)O
CACTVS 3.385	OC(=O)[C@H](CC(=O)N1C[C@@H]2CCCC[C@@H]2C1)Cc3ccccc3

Name:

(2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid;
Mitiglinide

ChEMBL:

CHEMBL471498

DrugBank:

DB01252

ZINC:

ZINC000001482913

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).