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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02355225

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
GBS4-GUANIDINOBENZOIC ACIDX2AH40.76
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.76
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.76
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.76
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.77
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
IBRA9EST0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.78
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
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.81
3AB3-aminobenzamideA,B,C,D3GOY0.7
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.81
GAB3-AMINOBENZOIC ACIDA,B3GSB0.81
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.81
GAB3-AMINOBENZOIC ACIDA3FHB0.81
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.83
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
AAHH1KEL0.71
AAHB,H1FL60.71
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.79
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.79
PAB4-AMINOBENZOIC ACIDA1PBD0.87
PAB4-AMINOBENZOIC ACIDB2DZA0.87
PAB4-AMINOBENZOIC ACIDA1IUS0.87
PAB4-AMINOBENZOIC ACIDA1IUU0.87
PAB4-AMINOBENZOIC ACIDA1IUT0.87
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
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
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.77
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
SX12-amino-5-bromobenzoic acidA,B3CIZ0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.81
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.81
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.81
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.74
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.77
4NB4-NITROBENZOIC ACIDA,B3CHT0.95
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.76
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
HABA,B1SRE0.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.85
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.76