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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00821578

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BENBENZAMIDINEA2TIO0.7
BENBENZAMIDINEA1J150.7
BENBENZAMIDINEA,B3BEU0.7
BENBENZAMIDINET1V2U0.7
BENBENZAMIDINEA,B,C,D,E,F3CF80.7
BENBENZAMIDINEA1S0R0.7
BENBENZAMIDINEA,B1V160.7
BENBENZAMIDINEA1CC70.7
BENBENZAMIDINEA3BG80.7
BENBENZAMIDINEA1CC80.7
BENBENZAMIDINEA3PTB0.7
BENBENZAMIDINEA,B1TRM0.7
BENBENZAMIDINEA1ZHR0.7
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.7
BENBENZAMIDINEA2BLV0.7
BENBENZAMIDINEA,B,C,D,E,F2GLP0.7
BENBENZAMIDINEH,I3D490.7
BENBENZAMIDINEH,L,T2AER0.7
BENBENZAMIDINEA1J140.7
BENBENZAMIDINEA1NSA0.7
BENBENZAMIDINEA2AYW0.7
BENBENZAMIDINEA1BRA0.7
BENBENZAMIDINEA,B,C,D1A0J0.7
BENBENZAMIDINEB,C,D2AST0.7
BENBENZAMIDINEA,B2CKR0.7
BENBENZAMIDINEA1LPU0.7
BENBENZAMIDINEA1ZHM0.7
BENBENZAMIDINEA1J8A0.7
BENBENZAMIDINEA,B3BCX0.7
BENBENZAMIDINEA,B,C,D,E,F3CF90.7
BENBENZAMIDINEA,B,C,D,E,F3D040.7
BENBENZAMIDINEA,B,C,D,E,F2GLL0.7
BENBENZAMIDINEA1AND0.7
BENBENZAMIDINEA2TBS0.7
BENBENZAMIDINEA,B,C,D,E,F3DP20.7
BENBENZAMIDINET1V2M0.7
BENBENZAMIDINEA2EEK0.7
BENBENZAMIDINEH,I2ZI20.7
BENBENZAMIDINET1V2J0.7
BENBENZAMIDINEH1KLI0.7
BENBENZAMIDINEA1CE50.7
BENBENZAMIDINEA,B,C,D,E,F3B7J0.7
BENBENZAMIDINEB,Y2PKA0.7
BENBENZAMIDINEA2VJ00.7
BENBENZAMIDINEA3B3J0.7
BENBENZAMIDINEA,B,C,D,E,F3DOY0.7
BENBENZAMIDINEA,B,C,D,E,F3DP30.7
BENBENZAMIDINEA,B,C,D,E,F2GLM0.7
BENBENZAMIDINEA1ANB0.7
BENBENZAMIDINEA1LO60.7
BENBENZAMIDINEA1LR40.7
BENBENZAMIDINEA,B1V1M0.7
BENBENZAMIDINEA1ZHP0.7
BENBENZAMIDINEA2J9N0.7
BENBENZAMIDINEA2BMV0.7
BENBENZAMIDINEA,B2CKS0.7
BENBENZAMIDINEA2BLW0.7
BENBENZAMIDINEA1J160.7
BENBENZAMIDINEA,B1V110.7
BENBENZAMIDINEA,B,C,D,E,F3DP00.7
BENBENZAMIDINEB1RTF0.7
BENBENZAMIDINEA,B,C,D,E,F3DP10.7
BENBENZAMIDINEA,B,C,D2E580.7
BENBENZAMIDINEA2TRM0.7
BENBENZAMIDINET1V2V0.7
BENBENZAMIDINEA1MBQ0.7
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.7
BENBENZAMIDINEA2O8U0.7
BENBENZAMIDINEH1DWB0.7
BENBENZAMIDINEB,C2ASS0.7
BENBENZAMIDINEA1ANE0.7
BENBENZAMIDINEH,I2ZIQ0.7
BENBENZAMIDINEA1BIT0.7
BENBENZAMIDINEA2AIQ0.7
BENBENZAMIDINEA2OQ50.7
BENBENZAMIDINEA1ANC0.7
BENBENZAMIDINEH1JBU0.7
BENBENZAMIDINEA,B2BPQ0.7
BENBENZAMIDINEA,B,C,D2GNN0.7
BENBENZAMIDINET1V2S0.7
BENBENZAMIDINEA1H4W0.7
BENBENZAMIDINEA1OSS0.7
BENBENZAMIDINEA1W800.7
BENBENZAMIDINEA1BTY0.7
BENBENZAMIDINEH,I2ZFQ0.7
BENBENZAMIDINEA1EAX0.7
BENBENZAMIDINEA1L2E0.7
BENBENZAMIDINEA1WRI0.7
BENBENZAMIDINEA,B3BB80.7
BENBENZAMIDINEA2OXS0.7
BENBENZAMIDINEA1DPO0.7
BENBENZAMIDINET1V2L0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
ABNBENZYLAMINED,H2HXC0.8
ABNBENZYLAMINEA,I1A860.8
ABNBENZYLAMINEA1UTN0.8
ABNBENZYLAMINEA1N6X0.8
ABNBENZYLAMINEA2BZA0.8
ABNBENZYLAMINEA2EUS0.8
ABNBENZYLAMINEA1N6Y0.8
ABNBENZYLAMINEA1UTJ0.8
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.78
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.77
FBA4-FLUOROBENZYLAMINEA1TNH0.77
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.78
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.86
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.86
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.86
DPKDEPRENYLA,B2BYB0.81
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.72
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.85
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.85
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.76
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.78
PEA2-PHENYLETHYLAMINEA1TNJ0.78
PEA2-PHENYLETHYLAMINED,H2HKM0.78
PEA2-PHENYLETHYLAMINEA1UTO0.78
PEA2-PHENYLETHYLAMINEA,B1D6Y0.78
PEA2-PHENYLETHYLAMINEA,B1D6Z0.78
PEA2-PHENYLETHYLAMINEA,B1D6U0.78
PEA2-PHENYLETHYLAMINEA1UTM0.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.77
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.75
CPUA,B1CR60.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.78
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.82
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.88
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.79
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.79
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.75
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.76
BAMBENZAMIDINEU1F5K0.7
BAMBENZAMIDINEX2BY80.7
BAMBENZAMIDINEB2PSM0.7
BAMBENZAMIDINEX2BY90.7
BAMBENZAMIDINEA1C1N0.7
BAMBENZAMIDINEX2BY60.7
BAMBENZAMIDINEH,I1C5O0.7
BAMBENZAMIDINEA1XX40.7
BAMBENZAMIDINEA1HJ80.7
BAMBENZAMIDINEA1C5P0.7
BAMBENZAMIDINEB1C5Z0.7
BAMBENZAMIDINEA,B1ZVW0.7
BAMBENZAMIDINEA2ANW0.7
BAMBENZAMIDINEA2ANY0.7
BAMBENZAMIDINEX2BYA0.7
BAMBENZAMIDINEA1TIO0.7
BAMBENZAMIDINEX2BY50.7
BAMBENZAMIDINEX2BY70.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.81
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
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.8
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
2631-(azidomethyl)-3-methylbenzeneX2RB20.82
PRA3-PHENYLPROPYLAMINEA1TNK0.77
PRA3-PHENYLPROPYLAMINEM1UTL0.77
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.77
PBN4-PHENYLBUTYLAMINEA1UTP0.77
271N-methyl-1-phenylmethanamineX2RBT0.89
BZZBENZYLHYDRAZINEA,B2E2V0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.81
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.78
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
NYLN-ALLYL-ANILINEA1OVK0.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.78
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.78
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.7
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.7
TTXTENTOXINB1KMH0.7
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.77
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77