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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003837

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
4NB4-NITROBENZOIC ACIDA,B3CHT0.8
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.76
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.76
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.76
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.87
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
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.77
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.75
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.83
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
PG9D-PHENYLGLYCINEA,B,G,H10GS0.71
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
AAHH1KEL0.73
AAHB,H1FL60.73
IBRA9EST0.77
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.92
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.7
TNSA,B,L2G2R0.73
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.8