BioLiP

PDB

BioLiP

PDB CCD ID:

PA2

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O2

InChI:

InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/t3-,4+,5-,6-/m0/s1

InChIKey:

QOLDZWBHLDQIJR-FSIIMWSLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(CC(C(C1N)O)O)N
CACTVS 3.341	N[CH]1C[CH](N)[CH](O)[CH](O)C1
CACTVS 3.341	N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)C1
ACDLabs 10.04	OC1CC(N)CC(N)C1O
OpenEye OEToolkits 1.5.0	C1[C@@H](C[C@@H]([C@H]([C@@H]1N)O)O)N

Name:

PAROMOMYCIN (RING 2)

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).