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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01224018

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.72
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE
A2BAN0.75
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.7
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.74
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.76
RRT(R)-RETRO-THIORPHANE1Z9G0.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.72
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID
A,I2CNL0.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.73
S2DN-BENZOYL-D-ALANINEA,B2JCI0.8
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
BCSBENZYLCYSTEINEA,B,G,H10GS0.71
BCSBENZYLCYSTEINEA1EH80.71
MY4(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-
PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
A2CNO0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.76
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.74
959benzyl (2-oxopropyl)carbamateA3D620.7
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.71
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A2FOV0.7
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A,B2FOY0.7
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.72
TTXTENTOXINB1KMH0.75
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.7
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.75
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.78
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71