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4N9C

Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)

Functional Information from GO Data
ChainGOidnamespacecontents
A0005125molecular_functioncytokine activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0007165biological_processsignal transduction
A0007267biological_processcell-cell signaling
A0007623biological_processcircadian rhythm
A0008284biological_processpositive regulation of cell population proliferation
A0008286biological_processinsulin receptor signaling pathway
A0009435biological_processNAD biosynthetic process
A0016607cellular_componentnuclear speck
A0016740molecular_functiontransferase activity
A0016757molecular_functionglycosyltransferase activity
A0019363biological_processpyridine nucleotide biosynthetic process
A0030054cellular_componentcell junction
A0032922biological_processcircadian regulation of gene expression
A0034356biological_processNAD biosynthesis via nicotinamide riboside salvage pathway
A0042802molecular_functionidentical protein binding
A0045944biological_processpositive regulation of transcription by RNA polymerase II
A0047280molecular_functionnicotinamide phosphoribosyltransferase activity
A0048511biological_processrhythmic process
A0051770biological_processpositive regulation of nitric-oxide synthase biosynthetic process
A0060612biological_processadipose tissue development
A0070062cellular_componentextracellular exosome
B0005125molecular_functioncytokine activity
B0005515molecular_functionprotein binding
B0005576cellular_componentextracellular region
B0005615cellular_componentextracellular space
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0007165biological_processsignal transduction
B0007267biological_processcell-cell signaling
B0007623biological_processcircadian rhythm
B0008284biological_processpositive regulation of cell population proliferation
B0008286biological_processinsulin receptor signaling pathway
B0009435biological_processNAD biosynthetic process
B0016607cellular_componentnuclear speck
B0016740molecular_functiontransferase activity
B0016757molecular_functionglycosyltransferase activity
B0019363biological_processpyridine nucleotide biosynthetic process
B0030054cellular_componentcell junction
B0032922biological_processcircadian regulation of gene expression
B0034356biological_processNAD biosynthesis via nicotinamide riboside salvage pathway
B0042802molecular_functionidentical protein binding
B0045944biological_processpositive regulation of transcription by RNA polymerase II
B0047280molecular_functionnicotinamide phosphoribosyltransferase activity
B0048511biological_processrhythmic process
B0051770biological_processpositive regulation of nitric-oxide synthase biosynthetic process
B0060612biological_processadipose tissue development
B0070062cellular_componentextracellular exosome
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 2ZM A 601
ChainResidue
AHIS191
AILE351
BTYR18
APHE193
AASP219
ASER241
AVAL242
AALA244
ASER275
AILE309
AARG311

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PO4 A 602
ChainResidue
AARG40
AARG392
ASER398
ALYS400
AHOH733
AHOH800
AHOH820
AHOH908
AHOH1039
AHOH1241

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 2ZM B 601
ChainResidue
ATYR18
BHIS191
BPHE193
BASP219
BSER241
BVAL242
BALA244
BSER275
BARG311
BILE351
BHOH969

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PO4 B 602
ChainResidue
BARG40
BARG392
BSER398
BLYS400
BHOH740
BHOH866
BHOH873
BHOH937
BHOH1141
BHOH1237

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues14
DetailsBINDING:
ChainResidueDetails
AARG196
BHIS247
BARG311
BGLY353
BGLY384
BARG392
AASP219
AHIS247
AARG311
AGLY353
AGLY384
AARG392
BARG196
BASP219

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: N-acetylmethionine => ECO:0007744|PubMed:22223895
ChainResidueDetails
AMET1
BMET1

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455
ChainResidueDetails
ATYR188
BTYR188

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER472
BSER472

218853

PDB entries from 2024-04-24

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