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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03150255

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
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.84
PPNPARA-NITROPHENYLALANINEI1YTJ0.81
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.77
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.75
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.7
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
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.75
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.72
BE22-AMINOBENZOIC ACIDE,I1ZFP0.72
BE22-AMINOBENZOIC ACIDA,B2HU80.72
BE22-AMINOBENZOIC ACIDA,B1AN90.72
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.72
BE22-AMINOBENZOIC ACIDA,B2YR60.72
BE22-AMINOBENZOIC ACIDA,I1E8N0.72
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.72
BE22-AMINOBENZOIC ACIDA1C0I0.72
BE22-AMINOBENZOIC ACIDA,B2JB30.72
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.72
PG9D-PHENYLGLYCINEA,B,G,H10GS0.71
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.71
AAHH1KEL0.75
AAHB,H1FL60.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.79
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.97
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.92
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.74
GAB3-AMINOBENZOIC ACIDA,B3GSB0.74
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.74
GAB3-AMINOBENZOIC ACIDA3FHB0.74
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.81
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.81
4NB4-NITROBENZOIC ACIDA,B3CHT0.86
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.81
PAB4-AMINOBENZOIC ACIDA1PBD0.77
PAB4-AMINOBENZOIC ACIDB2DZA0.77
PAB4-AMINOBENZOIC ACIDA1IUS0.77
PAB4-AMINOBENZOIC ACIDA1IUU0.77
PAB4-AMINOBENZOIC ACIDA1IUT0.77
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.83
TNSA,B,L2G2R0.74