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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01549850

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
A1ME40.71
TXLTAXOTEREA,B,K1IA00.71
TXLTAXOTEREA,B1TUB0.71
AG6N-[(benzyloxy)carbonyl]-L-alpha-
glutamyl-N-[(1S)-4-oxo-4-phenyl-
1-propylbut-2-en-1-yl]-L-phenylalaninamide
A3FRZ0.71
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.74
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.75
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.73
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.73
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A3TLH0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A1B110.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A6FIV0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A5FIV0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A2HAH0.7
NN4(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-
2-METHYLPROPANOYL]AMINO}ADAMANTANE-
1-CARBOXAMIDE
A,B,C,D,E,F,
G,H
2IRW0.77
TA1TAXOLA,B1JFF0.74
TA1TAXOLA,B,C2HXH0.74
TA1TAXOLA,B,N3DCO0.74
TA1TAXOLA,B,K2P4N0.74
TA1TAXOLA,B,D,F,G3EDL0.74
TA1TAXOLA,B,C2HXF0.74
TA1TAXOLA,B,C2WBE0.74
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.74
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.72
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.72
Y15N-[(1S)-2-{[(1R)-2-(benzyloxy)-
1-cyano-1-methylethyl]amino}-1-
(cyclohexylmethyl)-2-oxoethyl]morpholine-
4-carboxamide
A,B2R9O0.71
PH9(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-
3-[4-(2-BROMOPHENOXY)PHENYL]PROP-
2-ENOIC ACID
A1Z4U0.72
S44(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
A2ZNN0.77
S44(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
A,B2ZNO0.77