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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02384028

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.82
SHASALICYLHYDROXAMIC ACIDX1V0H0.85
SHASALICYLHYDROXAMIC ACIDA2QPK0.85
SHASALICYLHYDROXAMIC ACIDA3FNL0.85
SHASALICYLHYDROXAMIC ACIDA3GCJ0.85
SHASALICYLHYDROXAMIC ACIDA1CK60.85
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.76
MTBA,B1SRF0.73
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
TY23-AMINO-L-TYROSINEA,B2VH30.73
PAB4-AMINOBENZOIC ACIDA1PBD0.81
PAB4-AMINOBENZOIC ACIDB2DZA0.81
PAB4-AMINOBENZOIC ACIDA1IUS0.81
PAB4-AMINOBENZOIC ACIDA1IUU0.81
PAB4-AMINOBENZOIC ACIDA1IUT0.81
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.75
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.75
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.77
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.91
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.91
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.91
HABA,B1SRE0.77
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
DMBA,B1SRI0.75
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.82
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.75
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.74
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.73
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
NABA,B1SRJ0.71
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.8
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
B1GJD0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
MHBA,B1SRG0.77
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.75
AZY3-AZIDO-L-TYROSINEA2YXN0.72
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.75
GAB3-AMINOBENZOIC ACIDA,B3GSB0.75
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.75
GAB3-AMINOBENZOIC ACIDA3FHB0.75
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.77
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.75
BE22-AMINOBENZOIC ACIDE,I1ZFP0.75
BE22-AMINOBENZOIC ACIDA,B2HU80.75
BE22-AMINOBENZOIC ACIDA,B1AN90.75
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.75
BE22-AMINOBENZOIC ACIDA,B2YR60.75
BE22-AMINOBENZOIC ACIDA,I1E8N0.75
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.75
BE22-AMINOBENZOIC ACIDA1C0I0.75
BE22-AMINOBENZOIC ACIDA,B2JB30.75
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.75
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73