BioLiP

PDB

BioLiP

PDB CCD ID:

PTO

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O

InChI:

InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-

InChIKey:

CYHOMWAPJJPNMW-RNLVFQAGSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN1[C@H]2CC[C@@H]1CC(O)C2
ACDLabs 10.04	OC2CC1N(C)C(CC1)C2
CACTVS 3.341	CN1[CH]2CC[CH]1CC(O)C2
OpenEye OEToolkits 1.5.0	CN1[C@H]2CC[C@@H]1CC(C2)O
OpenEye OEToolkits 1.5.0	CN1C2CCC1CC(C2)O

Name:

PSEUDOTROPINE

ChEMBL:

CHEMBL1235490

DrugBank:

DB04026

ZINC:

ZINC000100019971

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).