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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03512290

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
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID		A1RWM0.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.74
MN82-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINEN1NLP0.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
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		A1MMR0.73
815THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-
(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-
2-OXO-PYRROLDIN-3-YL]-AMIDE		A1F0R0.71
QGG1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-
7-YL}SULFONYL)-D-PROLINE		A,B,C,D,E,F2VNT0.7
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
6CW6-CHLORO-L-TRYPTOPHANB2GV20.71
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.71
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.74
DTRD-TRYPTOPHANA,B,C,D2R3C0.75
DTRD-TRYPTOPHANA1XY80.75
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.75
DTRD-TRYPTOPHANA2V7K0.75
DTRD-TRYPTOPHANA,D1CZQ0.75
DTRD-TRYPTOPHANA1DFY0.75
DTRD-TRYPTOPHANA1XY50.75
DTRD-TRYPTOPHANA1NXN0.75
DTRD-TRYPTOPHANA1TKF0.75
DTRD-TRYPTOPHANA1YL90.75
DTRD-TRYPTOPHANA1XXZ0.75
DTRD-TRYPTOPHANA1XY40.75
DTRD-TRYPTOPHANA,D2Q3I0.75
DTRD-TRYPTOPHANA1QFB0.75
DTRD-TRYPTOPHANA1DFZ0.75
DTRD-TRYPTOPHANA1XY90.75
DTRD-TRYPTOPHANA1XY60.75
DTRD-TRYPTOPHANA2SOC0.75
DTRD-TRYPTOPHANA2JUE0.75
DTRD-TRYPTOPHANA1SOC0.75
DTRD-TRYPTOPHANA1YL80.75
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.75
DTRD-TRYPTOPHANA,B2Q330.75
DTRD-TRYPTOPHANA1DG00.75
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.75
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.72
TOT1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-
BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-
1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM		A108D0.71
FTRFLUOROTRYPTOPHANEA2JT80.74
FTRFLUOROTRYPTOPHANEA,B1NF00.74
FTRFLUOROTRYPTOPHANEA2JTZ0.74
FTRFLUOROTRYPTOPHANEA,B1I450.74
FTRFLUOROTRYPTOPHANEA,B2ZNX0.74
FTRFLUOROTRYPTOPHANEA,B1NEY0.74
FTRFLUOROTRYPTOPHANEA,B5FWG0.74
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.72
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.76
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.7
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.71
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.74
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
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,B1MMP0.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.73
IOPINDOLYLPROPIONIC ACIDA2OLI0.73
IOPINDOLYLPROPIONIC ACIDA,B2AY50.73
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE		A1A180.74
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.73
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.73
4IN4-AMINO-L-TRYPTOPHANA1OXF0.73
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde		A2ZAZ0.71
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.7
BTR6-BROMO-TRYPTOPHANA1WCT0.71
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.74
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.74
737N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-
BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-
YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-
1-YL}-ACETAMIDE		A1ZTL0.71
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.75
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.71
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID		A1RMO0.8
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.79
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE		A,B1W220.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID		A,B2VC20.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.72
Q742-(3-((4,5,7-trifluorobenzo[d]thiazol-
2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-
1-yl)acetic acid		A3G5E0.73