SEQ2FUN

BioLiP

PDB CCD ID: RZX
Number of entries in BioLiP: 1
Chemical formula: C18 H21 N3 O3 S
InChI: InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1
InChIKey: YREYEVIYCVEVJK-RUZDIDTESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC
CACTVS 3.370COCCCOc1ccnc(C[S](=O)c2[nH]c3ccccc3n2)c1C
ACDLabs 12.01O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C
OpenEye OEToolkits 1.7.0Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCCCOC
CACTVS 3.370COCCCOc1ccnc(C[S@@](=O)c2[nH]c3ccccc3n2)c1C
Name:2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole;
Rabeprazole
ChEMBL: CHEMBL1615209
DrugBank: DB13762
ZINC: ZINC000001530935
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).