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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00601330

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.74
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
HABA,B1SRE0.75
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.7
MOBA,B1SRH0.72
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.82
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.7
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.7
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.72
44CA2FBR0.8
FMXFAMOXADONEC,D,E1L0L0.71
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.7
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.72
MTBA,B1SRF0.75
DMBA,B1SRI0.73
6CAA2FLM0.8
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.78
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.75
MHBA,B1SRG0.74
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.72
O626-(4-{[3-(2,6-dichlorophenyl)-5-
(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-
1-carboxylic acid
A3DCU0.71
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.78
RHQRHODAMINE 6GA,B,D,E1JUS0.7
RHQRHODAMINE 6GA,B,D,E3BR50.7
RHQRHODAMINE 6GA,D,E3BR60.7
RHQRHODAMINE 6GA,B3D6Z0.7
RHQRHODAMINE 6GA1OY80.7
RHQRHODAMINE 6GA1T9V0.7
NABA,B1SRJ0.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.76
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.71
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.71
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.79
A055-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACIDA2Q950.72
0643-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-
5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
A3DCT0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.74
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.75