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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019882

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
BHOBENZHYDROXAMIC ACIDA,B1GX20.73
BHOBENZHYDROXAMIC ACIDA1HSR0.73
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.73
BHOBENZHYDROXAMIC ACIDA3GCK0.73
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
KYNKYNURENINEA,B,C,D2R2N0.76
KYNKYNURENINEA,B3E2Z0.76
KYNKYNURENINEA1XT70.76
KYNKYNURENINEA1T5M0.76
KYNKYNURENINEA1T5N0.76
KYNKYNURENINEA2VOV0.76
KYNKYNURENINEA2VOX0.76
PPNPARA-NITROPHENYLALANINEI1YTJ0.79
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.75
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.7
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.7
TSNTRICHOSTATIN AA,B1T640.76
TSNTRICHOSTATIN AA,B1C3R0.76
TSNTRICHOSTATIN AA,B,C3F0R0.76
TSNTRICHOSTATIN AA,B,C3C100.76
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.87
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.7
GAB3-AMINOBENZOIC ACIDA,B3GSB0.7
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.7
GAB3-AMINOBENZOIC ACIDA3FHB0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
3AB3-aminobenzamideA,B,C,D3GOY0.82
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
CRIA,B1VKG0.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.71
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8