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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02487956

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.72
TNSA,B,L2G2R0.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.75
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.79
GAB3-AMINOBENZOIC ACIDA,B3GSB0.79
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.79
GAB3-AMINOBENZOIC ACIDA3FHB0.79
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.77
IBRA9EST0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.78
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.87
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MTBA,B1SRF0.72
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
NIYMETA-NITRO-TYROSINEA2ADP0.75
NIYMETA-NITRO-TYROSINEA3DIV0.75
NIYMETA-NITRO-TYROSINEA2H5U0.75
NIYMETA-NITRO-TYROSINEA1K4Q0.75
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.78
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.78
DMBA,B1SRI0.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.7
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.74
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.7
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
PAB4-AMINOBENZOIC ACIDA1PBD0.79
PAB4-AMINOBENZOIC ACIDB2DZA0.79
PAB4-AMINOBENZOIC ACIDA1IUS0.79
PAB4-AMINOBENZOIC ACIDA1IUU0.79
PAB4-AMINOBENZOIC ACIDA1IUT0.79
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.76
PPNPARA-NITROPHENYLALANINEI1YTJ0.82
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.76
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.77
PG9D-PHENYLGLYCINEA,B,G,H10GS0.71
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.89
MHBA,B1SRG0.74
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.71
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
AAHH1KEL0.73
AAHB,H1FL60.73
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.7
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.7
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
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.7
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
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.75
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
HABA,B1SRE0.76
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.8
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.75
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.8
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.91
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.72