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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017743

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.77
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.72
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.81
PAB4-AMINOBENZOIC ACIDA1PBD0.8
PAB4-AMINOBENZOIC ACIDB2DZA0.8
PAB4-AMINOBENZOIC ACIDA1IUS0.8
PAB4-AMINOBENZOIC ACIDA1IUU0.8
PAB4-AMINOBENZOIC ACIDA1IUT0.8
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
SS11-PHENYLETHANOLH1UM50.7
34A3,4-DIMETHYLANILINEA1L4K0.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.7
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.73
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.74
PRY2-PROPYL-ANILINEA1OWY0.73
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.75
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
2AC2-AMINO-P-CRESOLH,I1A2C0.79
2AC2-AMINO-P-CRESOLA1L4M0.79
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.76
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.83
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.72
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.78
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.7
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.88
PHLL-PHENYLALANINOLA,B1JOH0.72
PHLL-PHENYLALANINOLI3APR0.72
PHLL-PHENYLALANINOLA1DLZ0.72
PHLL-PHENYLALANINOLA1IH90.72
PHLL-PHENYLALANINOLA1OB40.72
PHLL-PHENYLALANINOLI2ER60.72
PHLL-PHENYLALANINOLA1R9U0.72
PHLL-PHENYLALANINOLA1OB70.72
PHLL-PHENYLALANINOLA,B1OB60.72
PHLL-PHENYLALANINOLA,B,C1AMT0.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.7
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.7
2AF2-AMINOPHENOLA1L4N0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.81
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.81
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.81
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
SOAISATOIC ANHYDRIDEA1BIO0.95
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.75
BE22-AMINOBENZOIC ACIDE,I1ZFP0.75
BE22-AMINOBENZOIC ACIDA,B2HU80.75
BE22-AMINOBENZOIC ACIDA,B1AN90.75
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.75
BE22-AMINOBENZOIC ACIDA,B2YR60.75
BE22-AMINOBENZOIC ACIDA,I1E8N0.75
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.75
BE22-AMINOBENZOIC ACIDA1C0I0.75
BE22-AMINOBENZOIC ACIDA,B2JB30.75
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.75
4NL4-AMINOPHENOLA2ORL0.76