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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03074246

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CAQ0.75
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CIZ0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.7
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.73
RDR4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-
1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-
C]PYRIDIN-2-YL]METHYL}PIPERAZIN-
2-ONE		A1NFX0.7
4FW4-FLUOROTRYPTOPHANEA1RM90.72
FTRFLUOROTRYPTOPHANEA2JT80.72
FTRFLUOROTRYPTOPHANEA,B1NF00.72
FTRFLUOROTRYPTOPHANEA2JTZ0.72
FTRFLUOROTRYPTOPHANEA,B1I450.72
FTRFLUOROTRYPTOPHANEA,B2ZNX0.72
FTRFLUOROTRYPTOPHANEA,B1NEY0.72
FTRFLUOROTRYPTOPHANEA,B5FWG0.72
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.8
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID		A,B1MMP0.72
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.7
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID		A,B2VC20.75
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.74
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
DTRD-TRYPTOPHANA,B,C,D2R3C0.73
DTRD-TRYPTOPHANA1XY80.73
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.73
DTRD-TRYPTOPHANA2V7K0.73
DTRD-TRYPTOPHANA,D1CZQ0.73
DTRD-TRYPTOPHANA1DFY0.73
DTRD-TRYPTOPHANA1XY50.73
DTRD-TRYPTOPHANA1NXN0.73
DTRD-TRYPTOPHANA1TKF0.73
DTRD-TRYPTOPHANA1YL90.73
DTRD-TRYPTOPHANA1XXZ0.73
DTRD-TRYPTOPHANA1XY40.73
DTRD-TRYPTOPHANA,D2Q3I0.73
DTRD-TRYPTOPHANA1QFB0.73
DTRD-TRYPTOPHANA1DFZ0.73
DTRD-TRYPTOPHANA1XY90.73
DTRD-TRYPTOPHANA1XY60.73
DTRD-TRYPTOPHANA2SOC0.73
DTRD-TRYPTOPHANA2JUE0.73
DTRD-TRYPTOPHANA1SOC0.73
DTRD-TRYPTOPHANA1YL80.73
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
DTRD-TRYPTOPHANA,B2Q330.73
DTRD-TRYPTOPHANA1DG00.73
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.73
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID		A1RWO0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.7
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.7
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE		A1MMR0.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one		X3FYJ0.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.73
IOPINDOLYLPROPIONIC ACIDA2OLI0.73
IOPINDOLYLPROPIONIC ACIDA,B2AY50.73
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID		A1RMO0.76
5CBN-(5-CHLORO-BENZO[B]THIOPHEN-3-
YLMETHYL)-2-[6-CHLORO-OXO-3-(2-
PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-
1-YL]-ACETAMIDE		H,I2BVX0.72
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.72
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.71
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE		A1A180.72
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE		A,B1W220.71
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.74
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.73
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.73