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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03002606

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.73
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.7
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.7
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.72
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.75
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.79
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.76
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.73
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.78
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.75
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.76
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.73
271N-methyl-1-phenylmethanamineX2RBT0.76
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.71
S2DN-BENZOYL-D-ALANINEA,B2JCI0.7
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.75
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.71
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.7
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.73
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.78
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.78
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.72
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.79
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.76
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.76
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.85
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.74
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.72
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.7
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.81
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.78
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.71
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.73
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.71
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.74
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.75
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.71