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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02232458

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
IBRA9EST0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
BHOBENZHYDROXAMIC ACIDA,B1GX20.84
BHOBENZHYDROXAMIC ACIDA1HSR0.84
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.84
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.84
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.84
BHOBENZHYDROXAMIC ACIDA3GCK0.84
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.84
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.72
CRIA,B1VKG0.74
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.7
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.73
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.74
34A3,4-DIMETHYLANILINEA1L4K0.7
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.71
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
A3EQG0.7
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE
A2P550.73
PRY2-PROPYL-ANILINEA1OWY0.71
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
TSNTRICHOSTATIN AA,B1T640.85
TSNTRICHOSTATIN AA,B1C3R0.85
TSNTRICHOSTATIN AA,B,C3F0R0.85
TSNTRICHOSTATIN AA,B,C3C100.85
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
KYNKYNURENINEA,B,C,D2R2N0.72
KYNKYNURENINEA,B3E2Z0.72
KYNKYNURENINEA1XT70.72
KYNKYNURENINEA1T5M0.72
KYNKYNURENINEA1T5N0.72
KYNKYNURENINEA2VOV0.72
KYNKYNURENINEA2VOX0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.7
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
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.75
PAB4-AMINOBENZOIC ACIDA1PBD0.78
PAB4-AMINOBENZOIC ACIDB2DZA0.78
PAB4-AMINOBENZOIC ACIDA1IUS0.78
PAB4-AMINOBENZOIC ACIDA1IUU0.78
PAB4-AMINOBENZOIC ACIDA1IUT0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.79
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.75
GAB3-AMINOBENZOIC ACIDA,B3GSB0.75
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.75
GAB3-AMINOBENZOIC ACIDA3FHB0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
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
3AB3-aminobenzamideA,B,C,D3GOY0.9
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.75
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.82
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71