BioLiP

PDB

BioLiP

PDB CCD ID:

W21

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O3

InChI:

InChI=1S/C9H15NO3/c1-6(9(12)13)10-8(11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1

InChIKey:

WLHVFWMGYCZXDM-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](NC(=O)C1CCCC1)C(O)=O
CACTVS 3.385	C[CH](NC(=O)C1CCCC1)C(O)=O
OpenEye OEToolkits 2.0.7	C[C@@H](C(=O)O)NC(=O)C1CCCC1
OpenEye OEToolkits 2.0.7	CC(C(=O)O)NC(=O)C1CCCC1
ACDLabs 12.01	C1CCCC1C(NC(C(=O)O)C)=O

Name:

N-(cyclopentanecarbonyl)-L-alanine

ZINC:

ZINC000021951982

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).