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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00803466

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
A,B1UTZ0.81
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID
A,B2VC20.78
K02(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-
2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-
1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYI0.77
K01N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-
4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-
3-CARBOXAMIDE
A,B2PG20.77
K03N,N-DIETHYL-5,5-DIMETHYL-2-[(2-
THIENYLCARBONYL)AMINO]-4,5,6,7-
TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYM0.76
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE
A,B1W220.76
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one
X3FYJ0.75
G95N-[(1S)-2-amino-1-phenylethyl]-
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-
2-carboxamide
A,B3E870.75
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE
A,B,C,D2BM20.73
304N-[2-methyl-5-(methylcarbamoyl)phenyl]-
2-{[(1R)-1-methylpropyl]amino}-
1,3-thiazole-5-carboxamide
A3BX50.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.73
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
X2P3G0.72
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
3TH2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-
TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-
B]PYRROLE-5-CARBOXAMIDE
A2GM90.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.71
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.71
SBR(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE
A1IF70.71
6264-(4-METHYLPIPERAZIN-1-YL)-N-[5-
(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-
C]PYRAZOL-3-YL]BENZAMIDE
A2OWB0.71
6264-(4-METHYLPIPERAZIN-1-YL)-N-[5-
(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-
C]PYRAZOL-3-YL]BENZAMIDE
A,B2J4Z0.71
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide
A,B2VQV0.71
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide
A2VQM0.71
QINN-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-
2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-
6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
A2OAH0.71
SBS(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE
A1IF80.71
NCANICOTINAMIDEA,B2E5D0.7
NCANICOTINAMIDEA,B,C,D2Z770.7
NCANICOTINAMIDEA,B1DMA0.7
NCANICOTINAMIDEA,B1ISM0.7
NCANICOTINAMIDEA,B1YC50.7
NCANICOTINAMIDEA2ZB70.7
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.7
NCANICOTINAMIDEA,B2QQG0.7
NCANICOTINAMIDEA2OTV0.7
NCANICOTINAMIDEA2QHF0.7
NCANICOTINAMIDEA,B,C,D2C8A0.7
NCANICOTINAMIDEA,B2HJH0.7
NCANICOTINAMIDEA2A150.7
NCANICOTINAMIDEA2R6V0.7
NCANICOTINAMIDEA,B1ISI0.7
NCANICOTINAMIDEA,D,E2R9J0.7
NCANICOTINAMIDEA2H4J0.7
NCANICOTINAMIDEA,B2OD90.7
NCANICOTINAMIDEA,B,C,D,E1YC20.7
NCANICOTINAMIDEA,B3DZG0.7
NCANICOTINAMIDEA1OJU0.7
PR2THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-
OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-
2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE
A1F0S0.7
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.7
796N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-
5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-
2-CARBOXAMIDE
A2GU80.7
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.7
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE
A1IF90.7