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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020027

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.73
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.8
DMBA,B1SRI0.72
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.75
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.78
HABA,B1SRE0.74
NCR2-NITRO-P-CRESOLA,B1AHV0.71
2AF2-AMINOPHENOLA1L4N0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.76
GAB3-AMINOBENZOIC ACIDA,B3GSB0.76
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.76
GAB3-AMINOBENZOIC ACIDA3FHB0.76
3AB3-aminobenzamideA,B,C,D3GOY0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
SHASALICYLHYDROXAMIC ACIDX1V0H0.72
SHASALICYLHYDROXAMIC ACIDA2QPK0.72
SHASALICYLHYDROXAMIC ACIDA3FNL0.72
SHASALICYLHYDROXAMIC ACIDA3GCJ0.72
SHASALICYLHYDROXAMIC ACIDA1CK60.72
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.75
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.75
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.77
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.77
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.72
BE22-AMINOBENZOIC ACIDE,I1ZFP0.72
BE22-AMINOBENZOIC ACIDA,B2HU80.72
BE22-AMINOBENZOIC ACIDA,B1AN90.72
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.72
BE22-AMINOBENZOIC ACIDA,B2YR60.72
BE22-AMINOBENZOIC ACIDA,I1E8N0.72
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.72
BE22-AMINOBENZOIC ACIDA1C0I0.72
BE22-AMINOBENZOIC ACIDA,B2JB30.72
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.72
MHBA,B1SRG0.74
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.71
MTBA,B1SRF0.71
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.71
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.73
TY23-AMINO-L-TYROSINEA,B2VH30.79
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.7
2AC2-AMINO-P-CRESOLH,I1A2C0.78
2AC2-AMINO-P-CRESOLA1L4M0.78
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.81
AZY3-AZIDO-L-TYROSINEA2YXN0.78
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71