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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02301080

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OSC(2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-
2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-
6-HYDROXY-1-{N-[(2S)-2-HYDROXY-
3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-
1H-INDOLE-2-CARBOXAMIDE
B,C,D1RIW0.7
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.7
Y14N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-
3-yl]amino}-1-(cyclohexylmethyl)-
2-oxoethyl]morpholine-4-carboxamide
A,B2R9N0.74
BBT2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-
PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-
4,6-DIONE
A1JJ90.8
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.74
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide
H,I2ZO30.72
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.72
A70N-ethyl-N-[(4-methylpiperazin-1-
yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-
4-(butylcarbamoyl)-1-(cyclohexylmethyl)-
2-hydroxy-5-methylhexyl]-L-norleucinamide
A1ZAP0.71
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide
B,D3E900.73
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.71
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.71
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.7
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B3EYL0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.7
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.7
FA4SM-25453A,B2D1O0.76
FA4SM-25453A,B2D1N0.76
URGN-acetyl-D-alanyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid
A,B3CHF0.71
K30(2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-
3-fluoro-1-methylpiperidin-4-yl]-
2-(hydroxymethyl)-N-methyl-2-phenyl-
2,5-dihydro-1H-pyrrole-1-carboxamide
A,B3CJO0.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
X9Q{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETIC ACID
A2HGD0.74
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.76
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.73
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
H,I1K220.72
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
A1K1P0.72
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE
A,B1BCS0.74
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE
A1SGC0.74
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.71
009(4S)-1,4-dibenzyl-N-[(1S,2R)-1-
benzyl-3-{[3-(dimethylamino)benzyl]amino}-
2-hydroxypropyl]-2-oxoimidazolidine-
4-carboxamide
A,B,C3CKR0.7
DFKD-PHENYLALANYL-N-[(1S)-4-{[(Z)-
AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-
L-PROLINAMIDE
H,L3E6P0.76
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.73
AIPANTIPAINA,B1BCR0.72
RAGARGIFINA,B1W9V0.71
RAGARGIFINA1WB00.71
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.72
FRFPHE-REDUCED-PHEA,I1GVX0.71
FRG2-[3-METHYL-4-(N-METHYL-GUANIDINO)-
BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-
PHENYL)-PROPIONIC ACID METHYL ESTER
A,B1M480.7
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione
A,B,C3DV50.75
VRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid
A,B3CHE0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.73
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.7
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.7
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine
A,B3CHD0.74
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.73
CHYCHYMOSTATINA,B1M210.74
CHYCHYMOSTATINA,B1WVM0.74
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.72
M1N(1R)-3-METHYL-1-{[N-(MORPHOLIN-
4-YLCARBONYL)-3-(1-NAPHTHYL)-D-
ALANYL]AMINO}BUTYLBORONIC ACID
2,C,E,G,H,J,
L,N,P,R,T,V,
X,Z
2FHH0.74
BI6(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-
6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-
5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-
A]AZOCINE-3-CARBOXAMIDE
A2JK70.74