BioLiP

PDB

BioLiP

PDB CCD ID:

2BN

Number of entries in BioLiP:

Chemical formula:

C9 H17 N

InChI:

InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m1/s1

InChIKey:

OLTRGBMOWPXXIG-VXNVDRBHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC1(C)[C@@H]2CC[C@@]1(C)NC2
ACDLabs 10.04	N2C1(CCC(C1(C)C)C2)C
OpenEye OEToolkits 1.5.0	CC1([C@@H]2CC[C@]1(NC2)C)C
CACTVS 3.341	CC1(C)[CH]2CC[C]1(C)NC2
OpenEye OEToolkits 1.5.0	CC1(C2CCC1(NC2)C)C

Name:

(1R,4S)-2-AZABORNANE

DrugBank:

DB02409

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).