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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047109

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.74
34D3,5-DIHYDROXYBENZOATEA,B2BX70.7
SHASALICYLHYDROXAMIC ACIDX1V0H0.74
SHASALICYLHYDROXAMIC ACIDA2QPK0.74
SHASALICYLHYDROXAMIC ACIDA3FNL0.74
SHASALICYLHYDROXAMIC ACIDA3GCJ0.74
SHASALICYLHYDROXAMIC ACIDA1CK60.74
MOBA,B1SRH0.72
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.82
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.76
GAB3-AMINOBENZOIC ACIDA,B3GSB0.76
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.76
GAB3-AMINOBENZOIC ACIDA3FHB0.76
NPOP-NITROPHENOLA,B1Z440.74
NPOP-NITROPHENOLX2ZYW0.74
NPOP-NITROPHENOLH,L1YEK0.74
NPOP-NITROPHENOLA,C,E,G43CA0.74
NPOP-NITROPHENOLA1LS60.74
NPOP-NITROPHENOLX2ZVP0.74
NPOP-NITROPHENOLA,B2I100.74
NPOP-NITROPHENOLA1VAH0.74
NPOP-NITROPHENOLA,B3ETT0.74
NPOP-NITROPHENOLA,B2D200.74
NPOP-NITROPHENOLX2ZYV0.74
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.75
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.86
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.86
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.82
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.74
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.74
HABA,B1SRE0.86
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.8
BE22-AMINOBENZOIC ACIDE,I1ZFP0.8
BE22-AMINOBENZOIC ACIDA,B2HU80.8
BE22-AMINOBENZOIC ACIDA,B1AN90.8
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.8
BE22-AMINOBENZOIC ACIDA,B2YR60.8
BE22-AMINOBENZOIC ACIDA,I1E8N0.8
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.8
BE22-AMINOBENZOIC ACIDA1C0I0.8
BE22-AMINOBENZOIC ACIDA,B2JB30.8
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.8
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.73
3HB3-HYDROXYBENZOIC ACIDA2DKH0.73
TY23-AMINO-L-TYROSINEA,B2VH30.71
KYNKYNURENINEA,B,C,D2R2N0.7
KYNKYNURENINEA,B3E2Z0.7
KYNKYNURENINEA1XT70.7
KYNKYNURENINEA1T5M0.7
KYNKYNURENINEA1T5N0.7
KYNKYNURENINEA2VOV0.7
KYNKYNURENINEA2VOX0.7
MHBA,B1SRG0.84
4NC4-NITROCATECHOLA1NO30.71
4NC4-NITROCATECHOLB2BUU0.71
4NC4-NITROCATECHOLB2BUZ0.71
4NC4-NITROCATECHOLB1EOC0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.7
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.72
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.75
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.74
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.76
MTBA,B1SRF0.8
DMBA,B1SRI0.82
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.8
NCR2-NITRO-P-CRESOLA,B1AHV0.74
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.83
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.83
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.83
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.79
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.77
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
NABA,B1SRJ0.8
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.81
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.7
DNF2,4-DINITROPHENOLA,B2B160.7
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.7
DNF2,4-DINITROPHENOLA1GVO0.7
DNF2,4-DINITROPHENOLA,B2B150.7
DNF2,4-DINITROPHENOLA,B2B140.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.74
NIYMETA-NITRO-TYROSINEA2ADP0.76
NIYMETA-NITRO-TYROSINEA3DIV0.76
NIYMETA-NITRO-TYROSINEA2H5U0.76
NIYMETA-NITRO-TYROSINEA1K4Q0.76
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.76
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.79
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.77
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.77