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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01706237

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.75
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.7
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.76
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.71
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.72
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.7
153(2S)-2-[(2,4-DICHLORO-BENZOYL)-
(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-
3-PHENYL-PROPIONIC ACID
A,B1NHU0.7
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.76
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID
A1AUJ0.71
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.77
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.82
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
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.75
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.75
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.75
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.78
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.73
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.7
SX44-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-
1-yl]carbonyl}aniline
A,B3CJ30.72
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.7
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.7
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.81
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.75
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.73
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.76
TF14-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-
3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-
1-YL}CARBONYL)BENZONITRILE
A2BU50.72
TF14-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-
3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-
1-YL}CARBONYL)BENZONITRILE
A2BU20.72
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.71
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.73
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.72
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.76
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.81
2O77A-[(4-cyanophenyl)methyl]-6-(3,5-
dichlorophenyl)-5-oxo-2,3,5,7A-
tetrahydro-1H-pyrrolo[1,2-A]pyrrole-
7-carbonitrile
A2O7N0.78
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.71
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.81
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.7
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.73
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.8
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.8
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.7
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.7
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.7
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.78
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.75
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.75
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.7
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.74