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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178541

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TY23-AMINO-L-TYROSINEA,B2VH30.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.76
PPNPARA-NITROPHENYLALANINEI1YTJ0.88
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.84
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.74
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.77
PG9D-PHENYLGLYCINEA,B,G,H10GS0.73
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.79
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.86
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
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.74
PAB4-AMINOBENZOIC ACIDA1PBD0.75
PAB4-AMINOBENZOIC ACIDB2DZA0.75
PAB4-AMINOBENZOIC ACIDA1IUS0.75
PAB4-AMINOBENZOIC ACIDA1IUU0.75
PAB4-AMINOBENZOIC ACIDA1IUT0.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.72
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
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
IBRA9EST0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.86
AAHH1KEL0.74
AAHB,H1FL60.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
TNSA,B,L2G2R0.73
KYNKYNURENINEA,B,C,D2R2N0.73
KYNKYNURENINEA,B3E2Z0.73
KYNKYNURENINEA1XT70.73
KYNKYNURENINEA1T5M0.73
KYNKYNURENINEA1T5N0.73
KYNKYNURENINEA2VOV0.73
KYNKYNURENINEA2VOX0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
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
NIYMETA-NITRO-TYROSINEA2ADP0.76
NIYMETA-NITRO-TYROSINEA3DIV0.76
NIYMETA-NITRO-TYROSINEA2H5U0.76
NIYMETA-NITRO-TYROSINEA1K4Q0.76
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.76
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.91