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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02176118

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.76
DMBA,B1SRI0.72
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.82
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.82
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.75
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.79
BE22-AMINOBENZOIC ACIDE,I1ZFP0.79
BE22-AMINOBENZOIC ACIDA,B2HU80.79
BE22-AMINOBENZOIC ACIDA,B1AN90.79
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.79
BE22-AMINOBENZOIC ACIDA,B2YR60.79
BE22-AMINOBENZOIC ACIDA,I1E8N0.79
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.79
BE22-AMINOBENZOIC ACIDA1C0I0.79
BE22-AMINOBENZOIC ACIDA,B2JB30.79
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.79
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.73
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.75
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.76
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.78
MTBA,B1SRF0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.74
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.81
GAB3-AMINOBENZOIC ACIDA,B3GSB0.81
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.81
GAB3-AMINOBENZOIC ACIDA3FHB0.81
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.77
NID4-NITRO-INDEN-1-ONEA,B1DOH0.75
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.76
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.83
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.75
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.72
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.7
HABA,B1SRE0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.71
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.85
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.71
TNSA,B,L2G2R0.7
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.76
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.72
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.73
MHBA,B1SRG0.73
IBRA9EST0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.95
GBS4-GUANIDINOBENZOIC ACIDX2AH40.75
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.75
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.75
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.75
PAB4-AMINOBENZOIC ACIDA1PBD0.86
PAB4-AMINOBENZOIC ACIDB2DZA0.86
PAB4-AMINOBENZOIC ACIDA1IUS0.86
PAB4-AMINOBENZOIC ACIDA1IUU0.86
PAB4-AMINOBENZOIC ACIDA1IUT0.86
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.82
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.82
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.82
AAHH1KEL0.7
AAHB,H1FL60.7
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.7
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.89
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.76
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.74
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.79
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.83
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.76
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.72