SEQ2FUN

BioLiP

PDB CCD ID: NHP
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N O3 P S
InChI: InChI=1S/C10H16NO3PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-2,5-6H,3-4,7-8,11H2,(H2,12,13,14)
InChIKey: POZPBCXLYRZUTO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)N)SCCCCP(=O)(O)O
CACTVS 3.341Nc1ccccc1SCCCC[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)CCCCSc1ccccc1N
Name:4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID
ChEMBL: CHEMBL77785
ZINC: ZINC000002047144
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).