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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02409246

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
BHOBENZHYDROXAMIC ACIDA,B1GX20.85
BHOBENZHYDROXAMIC ACIDA1HSR0.85
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.85
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.85
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.85
BHOBENZHYDROXAMIC ACIDA3GCK0.85
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.85
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.71
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1Q410.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1UNH0.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A2QKR0.72
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE
A2P550.72
ISNISATINA,B1OJA0.74
ISNISATINA,B2BK50.74
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
3AB3-aminobenzamideA,B,C,D3GOY0.95
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.72
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.72
PRY2-PROPYL-ANILINEA1OWY0.72
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.72
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
TSNTRICHOSTATIN AA,B1T640.81
TSNTRICHOSTATIN AA,B1C3R0.81
TSNTRICHOSTATIN AA,B,C3F0R0.81
TSNTRICHOSTATIN AA,B,C3C100.81
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.78
CRIA,B1VKG0.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.76
NID4-NITRO-INDEN-1-ONEA,B1DOH0.79
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.78
GAB3-AMINOBENZOIC ACIDA,B3GSB0.78
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.78
GAB3-AMINOBENZOIC ACIDA3FHB0.78
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.74
BE22-AMINOBENZOIC ACIDE,I1ZFP0.74
BE22-AMINOBENZOIC ACIDA,B2HU80.74
BE22-AMINOBENZOIC ACIDA,B1AN90.74
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.74
BE22-AMINOBENZOIC ACIDA,B2YR60.74
BE22-AMINOBENZOIC ACIDA,I1E8N0.74
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.74
BE22-AMINOBENZOIC ACIDA1C0I0.74
BE22-AMINOBENZOIC ACIDA,B2JB30.74
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.74
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.72
IBRA9EST0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
KYNKYNURENINEA,B,C,D2R2N0.73
KYNKYNURENINEA,B3E2Z0.73
KYNKYNURENINEA1XT70.73
KYNKYNURENINEA1T5M0.73
KYNKYNURENINEA1T5N0.73
KYNKYNURENINEA2VOV0.73
KYNKYNURENINEA2VOX0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.76
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.82
34A3,4-DIMETHYLANILINEA1L4K0.71
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.73
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
A3EQG0.71