BioLiP

PDB

BioLiP

PDB CCD ID:

E5E

Number of entries in BioLiP:

Chemical formula:

C8 H12 N O3

InChI:

InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1

InChIKey:

SFLSHLFXELFNJZ-QMMMGPOBSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1C(C[NH3+])O)O)O
CACTVS 3.385	[NH3+]C[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 2.0.6	c1cc(c(cc1[C@H](C[NH3+])O)O)O
CACTVS 3.385	[NH3+]C[C@H](O)c1ccc(O)c(O)c1

Name:

Noradrenaline

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).