BioLiP

PDB

BioLiP

PDB CCD ID:

CDE

Number of entries in BioLiP:

Chemical formula:

C5 H13 N

InChI:

InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1

InChIKey:

JOZZAIIGWFLONA-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)C(C)N
CACTVS 3.341	CC(C)[CH](C)N
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC(C)[C@@H](C)N
ACDLabs 10.04	NC(C)C(C)C

Name:

1,2-DIMETHYL-PROPYLAMINE

ZINC:

ZINC000002034504

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).