BioLiP

PDB

BioLiP

PDB CCD ID:

03E

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O2

InChI:

InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)

InChIKey:

IINRZEIPFQHEAP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C1CCCC(CC1)(C(=O)O)N
CACTVS 3.370	NC1(CCCCCC1)C(O)=O
ACDLabs 12.01	O=C(O)C1(N)CCCCCC1

Name:

1-aminocycloheptanecarboxylic acid

ZINC:

ZINC000004202420

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).