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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01975452

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one		A,B,C,D3BZU0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE		B,C1GG60.75
CPUA,B1CR60.75
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.75
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZNK0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.76
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide		A,B,C2ZJK0.75
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide		A,B2QXG0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1MNC0.72
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.79
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide		A2ZJJ0.75
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.7
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.74
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.78
S2DN-BENZOYL-D-ALANINEA,B2JCI0.79
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE		A,B,C,D1TP70.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.86
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH		H1LHG0.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.71
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G4J0.71
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G540.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.78
RRT(R)-RETRO-THIORPHANE1Z9G0.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE		A,B2FKY0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.74
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE		A,B2FL60.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.81
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.81
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,		A1WAX0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
BHOBENZHYDROXAMIC ACIDA,B1GX20.7
BHOBENZHYDROXAMIC ACIDA1HSR0.7
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.7
BHOBENZHYDROXAMIC ACIDA3GCK0.7
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.7
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.84
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.8
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.73
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9M0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.76
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.76
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE		A1TFQ0.73
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.78
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.74
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.79
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.87
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.74
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G460.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G520.71
TTXTENTOXINB1KMH0.76
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.72
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A2STD0.75
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A,B,C7STD0.75
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE		A1EAS0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.76
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID		A2V350.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide		H,I2ZIQ0.72
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9O0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9P0.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID		A,B1B3D0.71
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE		A,B2FL20.73
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.8
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide		H,I3DT00.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE		A2HVC0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.85
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.73
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZGX0.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.78
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.78
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE		A,B2OLE0.71
DPKDEPRENYLA,B2BYB0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.75
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G450.72
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G1D0.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.77
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.77
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.73
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE		A,B1S3B0.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.75
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide		A2ZFT0.7
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide		H,I3BIU0.7
BZZBENZYLHYDRAZINEA,B2E2V0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE		A,B2IIV0.7
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.88
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.7
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9Q0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.74
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.74
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.74
NFAPHENYLALANINE AMIDEA2A4O0.74
NFAPHENYLALANINE AMIDEA,B1XAE0.74
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.74
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.74
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.74
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B1PI40.72
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B2FFY0.72
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B1MY80.72
271N-methyl-1-phenylmethanamineX2RBT0.86
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
5FH(5S)-5-benzylimidazolidine-2,4-
dione		A2JLO0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.8
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G480.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G530.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.88
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.88
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.88
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.86
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide		H,I2ZI20.73
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9N0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.76
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZFP0.73
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9L0.72
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide		H,I3BIV0.7