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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02104831

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE
A,B1W220.74
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.71
D4GA,B,C,D2FDY0.75
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.73
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.76
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.72
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.72
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.7
U324-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDEA2BTS0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE
A1NFW0.7
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.82
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.82
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.82
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.71
CK14-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-
2-AMINE
A1PXI0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.74
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.74
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.74
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.74
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.77
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.7
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.7
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.71
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.72
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
NTNISONICOTINAMIDINEA7ADH0.73