Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1BX1

Summary
Name:(4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]pyridine
Formula:C15 H13 N5 S
Formal charge:0
Formula weight:295.362 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]pyridine
OpenEye OEToolkits3.1.0.04-pyrimidin-4-yl-6-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52c1nc(ccn1)N1C=C(SCC1)c1ccnc2[NH]ccc21
InChIInChI1.06InChI=1S/C15H13N5S/c1-5-17-15-12(2-6-18-15)11(1)13-9-20(7-8-21-13)14-3-4-16-10-19-14/h1-6,9-10H,7-8H2,(H,17,18)
InChIKeyInChI1.06SXCYLCVXPMQXMB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CN(C=C(S1)c2ccnc3[nH]ccc23)c4ccncn4
SMILESCACTVS3.385C1CN(C=C(S1)c2ccnc3[nH]ccc23)c4ccncn4
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c[nH]c2c1c(ccn2)C3=CN(CCS3)c4ccncn4
SMILESOpenEye OEToolkits3.1.0.0c1c[nH]c2c1c(ccn2)C3=CN(CCS3)c4ccncn4

250835

PDB entries from 2026-03-18

PDB statisticsPDBj update infoContact PDBjnumon