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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00370630

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3TH2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-
TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-
B]PYRROLE-5-CARBOXAMIDE		A2GM90.71
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,B1MMP0.78
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.72
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.7
FTRFLUOROTRYPTOPHANEA2JT80.7
FTRFLUOROTRYPTOPHANEA,B1NF00.7
FTRFLUOROTRYPTOPHANEA2JTZ0.7
FTRFLUOROTRYPTOPHANEA,B1I450.7
FTRFLUOROTRYPTOPHANEA,B2ZNX0.7
FTRFLUOROTRYPTOPHANEA,B1NEY0.7
FTRFLUOROTRYPTOPHANEA,B5FWG0.7
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		A1MMR0.77
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.73
8HI(3R,5R)-7-{3-(4-fluorophenyl)-1-
(1-methylethyl)-4-phenyl-5-[(4-
sulfamoylphenyl)carbamoyl]-1H-pyrrol-
2-yl}-3,5-dihydroxyheptanoic acid		A,B,C,D3CDA0.72
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D2Q1L0.71
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D3CD70.71
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE		A,B1SHL0.7
FRX(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-
2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-
3-YL)-6H-THIENO[2,3-B]PYRROLE-5-
CARBOXAMIDE		A,B2IEI0.71
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID		A,B2VC20.72
D8G6-(2-fluorobenzyl)-2,4-dimethyl-
4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-
d]pyridazin-5-one		A,B,C,D3H6O0.72
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE		A1NFW0.7
K88(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-
TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-
2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE		A,D2WEL0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.71
IOPINDOLYLPROPIONIC ACIDA2OLI0.71
IOPINDOLYLPROPIONIC ACIDA,B2AY50.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.73
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.72
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.71
RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-
1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YL)-
SUCCINAMIDE		A1MMQ0.72
DTRD-TRYPTOPHANA,B,C,D2R3C0.71
DTRD-TRYPTOPHANA1XY80.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.71
DTRD-TRYPTOPHANA2V7K0.71
DTRD-TRYPTOPHANA,D1CZQ0.71
DTRD-TRYPTOPHANA1DFY0.71
DTRD-TRYPTOPHANA1XY50.71
DTRD-TRYPTOPHANA1NXN0.71
DTRD-TRYPTOPHANA1TKF0.71
DTRD-TRYPTOPHANA1YL90.71
DTRD-TRYPTOPHANA1XXZ0.71
DTRD-TRYPTOPHANA1XY40.71
DTRD-TRYPTOPHANA,D2Q3I0.71
DTRD-TRYPTOPHANA1QFB0.71
DTRD-TRYPTOPHANA1DFZ0.71
DTRD-TRYPTOPHANA1XY90.71
DTRD-TRYPTOPHANA1XY60.71
DTRD-TRYPTOPHANA2SOC0.71
DTRD-TRYPTOPHANA2JUE0.71
DTRD-TRYPTOPHANA1SOC0.71
DTRD-TRYPTOPHANA1YL80.71
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
DTRD-TRYPTOPHANA,B2Q330.71
DTRD-TRYPTOPHANA1DG00.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.71
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID		A1RWM0.7
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
HQC3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-
AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
4-OXO-BUTYRI ACID		A1RWP0.71
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.71
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.71
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.74
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.7
5672-[[(2R)-1-[[(2S)-5-amino-1-[(4-
carbamimidoylphenyl)methylamino]-
1,5-dioxo-pentan-2-yl]amino]-3-
(1H-indol-3-yl)-1-oxo-propan-2-
yl]sulfamoyl]ethanoic acid		H,L2ZWL0.71
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.77
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.71
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.71
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.71
DRNBISINDOLYLMALEIMIDE IXA2V7O0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDI0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDX0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2DUX0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A1MAR0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2DV00.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDM0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDB0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PD50.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2FZ90.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2DUZ0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDF0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2HVO0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2HVN0.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2FZ80.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2HV50.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A1FRB0.7
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID		A1RMO0.8
MZ7N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-
BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE		A,B2QI50.72
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1O0D0.71
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID		A1RWO0.71
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.7
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1NZQ0.71
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.73
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.73