BioLiP

PDB

BioLiP

PDB CCD ID:

7A8

Number of entries in BioLiP:

Chemical formula:

C9 H17 N

InChI:

InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1

InChIKey:

LDFVYCXKPXXSNO-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(C)[CH]1CCC(=CC1)C
ACDLabs 10.04	N(C)(C)C1CC=C(C)CC1
CACTVS 3.341	CN(C)[C@@H]1CCC(=CC1)C
OpenEye OEToolkits 1.5.0	CC1=CCC(CC1)N(C)C
OpenEye OEToolkits 1.5.0	CC1=CC[C@@H](CC1)N(C)C

Name:

(1R)-DIMETHYL-(4-METHYL-CYCLOHEX-3-ENYL)-AMINE;
(4R)-7AZA-7,8-DIHYDROLIMONENE

DrugBank:

DB01802

ZINC:

ZINC000005964439

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).