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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01358528

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.84
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.84
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.84
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		A2JK70.76
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		A2ZHD0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZHW0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		A2ZFS0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.72
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.8
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
876N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-
DIPHOSPHONOPHENYLALANINAMIDE		A1O4B0.71
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE		A,B2FKY0.86
X23(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(aminomethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide		A,B,C,D,E,F,
G,H,I,J		3CM20.74
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide		A2ZJJ0.74
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide		H,I2ZO30.72
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide		H,I3DHK0.7
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZHE0.73
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.74
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide		A,B,C2ZJK0.74
5FH(5S)-5-benzylimidazolidine-2,4-
dione		A2JLO0.75
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.7
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE		A1TFQ0.78
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.73
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE		A,B2FL60.84
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.72
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.76
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.75
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide		A2ZDN0.72
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide		H,I2ZHF0.72
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE		A,B2IIV0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.76
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.7
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZC90.74
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZNK0.74
Y14N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-
3-yl]amino}-1-(cyclohexylmethyl)-
2-oxoethyl]morpholine-4-carboxamide		A,B2R9N0.72
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide		H,I2ZHQ0.76
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.73
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL		H1YNK0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.74
BNFN-BENZYLFORMAMIDEA,B1U3U0.78
0Z6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-phenylalaninamide		H,L3ELA0.71
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID		A,B1B3D0.73
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE		A1VSN0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
271N-methyl-1-phenylmethanamineX2RBT0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.75
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH		H1LHG0.74
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE		A2CMC0.7
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH		H1LHE0.7
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE		A1EAS0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.79
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.79
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER		A,B1C8T0.71
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER		A,B1C3I0.71
DPKDEPRENYLA,B2BYB0.73
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.7
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZFP0.72
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide		A,B3F7H0.71
L86(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-
DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-
BENZOHEXAAZACYCLOHENICOSINE-3,24-
DIONE		A,B1NM60.74
UNH({1-[1-CARBAMOYL-PHENYL-METHYL)-
CARBAMOYL]-METHYL}-AMINOOXALYL)-
BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-
CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER		A,C2A4G0.71
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide		A2ZFT0.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide		H,I3BIU0.73
RUP(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-
3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-
PROPIONAMIDE		A1KYE0.71
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID		A1AUJ0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.74
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.75
TTXTENTOXINB1KMH0.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1MNC0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide		H,I2ZDA0.76
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.7
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide		H,I3BIV0.75
N9H(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-
N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-
PYRAZOLE-1-CARBOXAMIDE		A,B2G1Q0.76
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZGX0.75
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE		A,B2FL20.78
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide		H,I2ZIQ0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
FA4SM-25453A,B2D1O0.74
FA4SM-25453A,B2D1N0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide		H,I3DUX0.72
IH22-(2,2-DIPHENYL-ETHYL)-7-METHYL-
1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-
[1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE-
5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-
CYCLOHEXYLMETHYL)-AMIDE		2,31C4V0.7
CPUA,B1CR60.88
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide		A2ZDK0.74
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide		H,I2ZG00.74
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.78
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZI20.75
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,B3EYL0.75
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide		H,I3DT00.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.8
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QB40.71
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.76
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE		A,B,C,D2BUC0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72