BioLiP

PDB

BioLiP

PDB CCD ID:

E6F

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O2

InChI:

InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1

InChIKey:

USQHEVWOPJDAAX-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC[C@@H]([C@H](C1)C(=O)O)N
CACTVS 3.385	N[C@H]1CCCC[C@@H]1C(O)=O
OpenEye OEToolkits 2.0.7	C1CCC(C(C1)C(=O)O)N
CACTVS 3.385	N[CH]1CCCC[CH]1C(O)=O

Name:

(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid

ZINC:

ZINC000004202335

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).