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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02658643

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.79
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.8
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.74
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.74
NABA,B1SRJ0.72
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.76
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.73
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.72
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.77
6CAA2FLM0.76
TYNAMINOBENZOFURAZAN-O-TYROSINEA,B,C,D,E,F1NBM0.72
RHQRHODAMINE 6GA,B,D,E1JUS0.71
RHQRHODAMINE 6GA,B,D,E3BR50.71
RHQRHODAMINE 6GA,D,E3BR60.71
RHQRHODAMINE 6GA,B3D6Z0.71
RHQRHODAMINE 6GA1OY80.71
RHQRHODAMINE 6GA1T9V0.71
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.76
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.77
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.73
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.74
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.74
ILBA2FPT0.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.7
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.78
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.74
44CA2FBR0.76
MHBA,B1SRG0.76
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.75
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
DMBA,B1SRI0.75
MOBA,B1SRH0.79
MTBA,B1SRF0.76
A055-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACIDA2Q950.74
3FTA2BXV0.73
R6GRHODAMINE 6GB2V3L0.73
0643-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-
5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
A3DCT0.7
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.74
ILHA2FQI0.7
F792-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-
FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
A2EA40.71
HABA,B1SRE0.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE
D,E,F,G,H1LLR0.74
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71