BioLiP

PDB

BioLiP

PDB CCD ID:

XYC

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O2

InChI:

InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1

InChIKey:

KDYAKYRBGLKMAK-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CC1CCCC1)C(O)=O
CACTVS 3.385	N[CH](CC1CCCC1)C(O)=O
OpenEye OEToolkits 2.0.5	C1CCC(C1)CC(C(=O)O)N
OpenEye OEToolkits 2.0.5	C1CCC(C1)C[C@@H](C(=O)O)N

Name:

(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid

ChEMBL:

CHEMBL4091021

ZINC:

ZINC000002045921

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).