BioLiP

PDB

BioLiP

PDB CCD ID:

PH6

Number of entries in BioLiP:

Chemical formula:

C11 H19 N O2

InChI:

InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1

InChIKey:

XRZWVSXEDRYQGC-ZJUUUORDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1C[CH](CN1)C2CCCCC2
OpenEye OEToolkits 1.7.6	C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O
OpenEye OEToolkits 1.7.6	C1CCC(CC1)C2CC(NC2)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1C[C@H](CN1)C2CCCCC2
ACDLabs 12.01	O=C(O)C2NCC(C1CCCCC1)C2

Name:

(4S)-4-cyclohexyl-L-proline

ChEMBL:

CHEMBL4091905

ZINC:

ZINC000021984673

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).