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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005665

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.76
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.82
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.95
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.86
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.86
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.86
4NC4-NITROCATECHOLA1NO30.73
4NC4-NITROCATECHOLB2BUU0.73
4NC4-NITROCATECHOLB2BUZ0.73
4NC4-NITROCATECHOLB1EOC0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.7
NCR2-NITRO-P-CRESOLA,B1AHV0.82
CLMCHLORAMPHENICOLA1K010.7
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.7
CLMCHLORAMPHENICOLA2XAT0.7
CLMCHLORAMPHENICOLA4CLA0.7
CLMCHLORAMPHENICOLA1CLA0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.7
CLMCHLORAMPHENICOLA,B2UXP0.7
CLMCHLORAMPHENICOLA1QHS0.7
CLMCHLORAMPHENICOLA1QHY0.7
CLMCHLORAMPHENICOLA3CLA0.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.75
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.73
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
SOAISATOIC ANHYDRIDEA1BIO0.84
TNFPICRIC ACIDA1GVS0.72
TNFPICRIC ACIDX1VYP0.72
TNFPICRIC ACIDA1VYR0.72
TNFPICRIC ACIDX1VYS0.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
NPOP-NITROPHENOLA,B1Z440.8
NPOP-NITROPHENOLX2ZYW0.8
NPOP-NITROPHENOLH,L1YEK0.8
NPOP-NITROPHENOLA,C,E,G43CA0.8
NPOP-NITROPHENOLA1LS60.8
NPOP-NITROPHENOLX2ZVP0.8
NPOP-NITROPHENOLA,B2I100.8
NPOP-NITROPHENOLA1VAH0.8
NPOP-NITROPHENOLA,B3ETT0.8
NPOP-NITROPHENOLA,B2D200.8
NPOP-NITROPHENOLX2ZYV0.8
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.73
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.76
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.77
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.73
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.73
4NP4-NITROPHENYL PHOSPHATEA2I6P0.73
DNF2,4-DINITROPHENOLA,B2B160.73
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.73
DNF2,4-DINITROPHENOLA1GVO0.73
DNF2,4-DINITROPHENOLA,B2B150.73
DNF2,4-DINITROPHENOLA,B2B140.73
4NS4-nitrophenyl sulfateX2ZYU0.75
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.7
BE22-AMINOBENZOIC ACIDE,I1ZFP0.7
BE22-AMINOBENZOIC ACIDA,B2HU80.7
BE22-AMINOBENZOIC ACIDA,B1AN90.7
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.7
BE22-AMINOBENZOIC ACIDA,B2YR60.7
BE22-AMINOBENZOIC ACIDA,I1E8N0.7
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.7
BE22-AMINOBENZOIC ACIDA1C0I0.7
BE22-AMINOBENZOIC ACIDA,B2JB30.7
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.7
PAB4-AMINOBENZOIC ACIDB2DZA0.7
PAB4-AMINOBENZOIC ACIDA1IUS0.7
PAB4-AMINOBENZOIC ACIDA1IUU0.7
PAB4-AMINOBENZOIC ACIDA1IUT0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.78
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.74
GAB3-AMINOBENZOIC ACIDA,B3GSB0.74
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.74
GAB3-AMINOBENZOIC ACIDA3FHB0.74
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.78
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.82