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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00714871

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE
A,B3E680.73
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.72
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A,B3GEQ0.7
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A2ZV90.7
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1QPE0.7
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.8
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.84
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.84
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.71
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.7
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.79
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.79
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BLA0.86
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BL90.86
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A,B,C,D1J3J0.86
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.71
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.75
2AQQUINOLIN-2-AMINEA2OHL0.79
THATACRINEA,B2AOW0.7
THATACRINEA,B,C,D,E,F1MX10.7
THATACRINEA,B2AOX0.7
THATACRINEA1ACJ0.7
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.72
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.82
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.82
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.7
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.73
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.73
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.77
1SQISOQUINOLIN-1-AMINEA2OHK0.73
C2M5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-
2,4-DIAMINE
A,B2AOV0.83
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
TABACETIC ACID N-[2-CHLORO-5-[6-ETHYL-
2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-
[BENZYL-TRIAZEN-3-YL]ETHYL ESTER
A1VJ30.72
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.7
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.7
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.73
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.72