BioLiP

PDB

BioLiP

PDB CCD ID:

CAM

Number of entries in BioLiP:

Chemical formula:

C10 H16 O

InChI:

InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

InChIKey:

DSSYKIVIOFKYAU-XCBNKYQSSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC1(C)[CH]2CC[C]1(C)C(=O)C2
CACTVS 3.341	CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
ACDLabs 10.04	O=C1CC2CCC1(C)C2(C)C
OpenEye OEToolkits 1.5.0	CC1(C2CCC1(C(=O)C2)C)C
OpenEye OEToolkits 1.5.0	CC1([C@@H]2CC[C@]1(C(=O)C2)C)C

Name:

CAMPHOR

ChEMBL:

CHEMBL504760

DrugBank:

DB01744

ZINC:

ZINC000000967520

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).