SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O2

InChI:

InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-

InChIKey:

GYDJEQRTZSCIOI-LJGSYFOKSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C1CCC(CN)CC1
CACTVS 3.341	NC[C@@H]1CC[C@H](CC1)C(O)=O
OpenEye OEToolkits 1.5.0	C1CC(CCC1CN)C(=O)O
CACTVS 3.341	NC[CH]1CC[CH](CC1)C(O)=O

Name:

TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID

ChEMBL:

DrugBank:

ZINC:

ZINC000100071256

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).