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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178179

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.77
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.77
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.81
GAB3-AMINOBENZOIC ACIDA,B3GSB0.81
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.81
GAB3-AMINOBENZOIC ACIDA3FHB0.81
AAHH1KEL0.71
AAHB,H1FL60.71
MTBA,B1SRF0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.88
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.75
PPNPARA-NITROPHENYLALANINEI1YTJ0.8
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.77
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
HABA,B1SRE0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.72
MHBA,B1SRG0.76
DMBA,B1SRI0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.77
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.77
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
IBRA9EST0.7
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.81
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.81
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.81
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.72
KYNKYNURENINEA,B,C,D2R2N0.72
KYNKYNURENINEA,B3E2Z0.72
KYNKYNURENINEA1XT70.72
KYNKYNURENINEA1T5M0.72
KYNKYNURENINEA1T5N0.72
KYNKYNURENINEA2VOV0.72
KYNKYNURENINEA2VOX0.72
NABA,B1SRJ0.71
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.78
BE22-AMINOBENZOIC ACIDE,I1ZFP0.78
BE22-AMINOBENZOIC ACIDA,B2HU80.78
BE22-AMINOBENZOIC ACIDA,B1AN90.78
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.78
BE22-AMINOBENZOIC ACIDA,B2YR60.78
BE22-AMINOBENZOIC ACIDA,I1E8N0.78
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.78
BE22-AMINOBENZOIC ACIDA1C0I0.78
BE22-AMINOBENZOIC ACIDA,B2JB30.78
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.78
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.75
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.74
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.74
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.75
4NB4-NITROBENZOIC ACIDA,B3CHT0.86
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.7
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.8
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.85
SX12-amino-5-bromobenzoic acidA,B3CIZ0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.76
PAB4-AMINOBENZOIC ACIDA1PBD0.77
PAB4-AMINOBENZOIC ACIDB2DZA0.77
PAB4-AMINOBENZOIC ACIDA1IUS0.77
PAB4-AMINOBENZOIC ACIDA1IUU0.77
PAB4-AMINOBENZOIC ACIDA1IUT0.77
TNSA,B,L2G2R0.74
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.71