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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00764345

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.74
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.73
I212-[(5R)-5-amino-5-methyl-4,16-dioxo-
14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-
1(21),7(22),8,10,12,14,17,19-octaen-
19-yl]benzonitrile
A2QZK0.71
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.74
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.73
4FCA1YSG0.71
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.78
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.71
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.75
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid
X3EJ50.71
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.73
RPRA1F0U0.74
RPRA1EZQ0.74
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.71
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.73
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.72
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.76
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.76
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.76
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.76
FBCA,B2B9A0.7
GR16-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-
PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID
B,I1QJ70.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
26CA,B2F7I0.7
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.7
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.83
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
3CBN-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-
N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-
5-IMINOORNITHINAMIDE
H,L1WSS0.72