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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01076517

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.72
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.76
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.7
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.85
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.73
MOBA,B1SRH0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.72
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.73
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.71
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.73
NBQ2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)TYROSINE
A1SII0.74
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.75
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.75
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
A1PH00.71
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.72
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.71
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.72
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.82
44CA2FBR0.74
AVE4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-
3-trifluoromethoxybenzoic acid
A,B3CEH0.72
3FTA2BXV0.73
BIA1-(3,4,DIHYDROXY-5-NITROPHENYL)-
3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-
1-YL}PROPAN-1-ONE
A1H1D0.7
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.76
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.76
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.71
I26(2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID
H2V3O0.7
FLGFLUORESCEINYLTHIOUREIDOA,B1OCB0.74
346(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-
[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-
FURAN-3-YLOXY]-PHENYL]-ACETIC ACID
H2BZ60.7
6CAA2FLM0.74
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.74
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.72
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID
A1DVY0.72
ILBA2FPT0.71
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
A1SIH0.79
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.72
I25(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYLPHENYL}ACETIC ACID
H,I2V3H0.71