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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03070167

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.73
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.73
PZQPRAZIQUANTELA1GTB0.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.77
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
FRFPHE-REDUCED-PHEA,I1GVX0.78
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)
A1QF20.72
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,B3CJO0.75
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
TINA,B1N940.71
314N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-
2-yl]-1-(3,5-difluorobenzyl)-2-
hydroxyethyl]-5-methyl-N,N-dipropylbenzene-
1,3-dicarboxamide
A,B3CIB0.71
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1BZS0.78
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1I760.78
PG9D-PHENYLGLYCINEA,B,G,H10GS0.73
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.73
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
153(2S)-2-[(2,4-DICHLORO-BENZOYL)-
(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-
3-PHENYL-PROPIONIC ACID
A,B1NHU0.75
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,C3DV50.71
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
PH0N-{(2S)-3-[(R)-[(1R)-1-amino-2-
phenylethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}-L-phenylalanine
A2R590.71
FNH(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-
5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-
1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-
2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2A4Q0.71
4PH4-methyl-L-phenylalanineB,C3BV90.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.75
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.73
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.71
DPND-PHENYLALANINEP1MCS0.71
DPND-PHENYLALANINEA1GOE0.71
DPND-PHENYLALANINEA2RM90.71
DPND-PHENYLALANINEA1SOC0.71
DPND-PHENYLALANINEB,C,E,F1SFQ0.71
DPND-PHENYLALANINEI1ABJ0.71
DPND-PHENYLALANINEP1DWE0.71
DPND-PHENYLALANINEI,M1HLT0.71
DPND-PHENYLALANINEA,H,L1J9C0.71
DPND-PHENYLALANINEI,T1TMB0.71
DPND-PHENYLALANINEA2JRY0.71
DPND-PHENYLALANINEA2SOC0.71
DPND-PHENYLALANINEA2YYF0.71
DPND-PHENYLALANINEI2HGT0.71
DPND-PHENYLALANINEA,D2Q3I0.71
DPND-PHENYLALANINEA,P1MCD0.71
DPND-PHENYLALANINEP1HAO0.71
DPND-PHENYLALANINEA,B,I1Z8J0.71
DPND-PHENYLALANINEA,B,C2PGQ0.71
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.71
DPND-PHENYLALANINEP1NRR0.71
DPND-PHENYLALANINEI1PPB0.71
DPND-PHENYLALANINEC,D,G,H1NU70.71
DPND-PHENYLALANINEI2HPP0.71
DPND-PHENYLALANINEB,C2OD30.71
DPND-PHENYLALANINEA1B0Q0.71
DPND-PHENYLALANINEB,C,E,F1NU90.71
DPND-PHENYLALANINEA,B,I1Z8I0.71
DPND-PHENYLALANINEH,I,J1TMU0.71
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.71
DPND-PHENYLALANINEA1GO90.71
DPND-PHENYLALANINEB,C,E,F1A0H0.71
DPND-PHENYLALANINEP1MCF0.71
DPND-PHENYLALANINEA2RME0.71
DPND-PHENYLALANINEH,I1TMT0.71
DPND-PHENYLALANINEI1ABI0.71
DPND-PHENYLALANINER1NRQ0.71
DPND-PHENYLALANINEB,C,F,G2A1D0.71
DPND-PHENYLALANINEA,B2Q330.71
DPND-PHENYLALANINEC,H,L1DAN0.71
DPND-PHENYLALANINEP1MCE0.71
DPND-PHENYLALANINEB,C,E,F2A450.71
DPND-PHENYLALANINEA2RMI0.71
DPND-PHENYLALANINEA,B,I1TQ70.71
DPND-PHENYLALANINEA1W7M0.71
DPND-PHENYLALANINEP1HAP0.71
DPND-PHENYLALANINEA,B1ORF0.71
DPND-PHENYLALANINEI1IHS0.71
DPND-PHENYLALANINEP1MCC0.71
DPND-PHENYLALANINEA2RMD0.71
DPND-PHENYLALANINEA2JQB0.71
DPND-PHENYLALANINEI2HPQ0.71
DPND-PHENYLALANINEC,E,F1SHH0.71
DPND-PHENYLALANINEA,I1CVR0.71
DPND-PHENYLALANINEL,P1AUT0.71
DPND-PHENYLALANINEP1MCI0.71
DPND-PHENYLALANINEH,I3F6U0.71
DPND-PHENYLALANINEA1BFW0.71
DPND-PHENYLALANINEH,I1HAI0.71
DPND-PHENYLALANINEB,C2THF0.71
DPND-PHENYLALANINEI1IHT0.71
DPND-PHENYLALANINEA,P1MCJ0.71
DPND-PHENYLALANINEA1TKH0.71
DPND-PHENYLALANINEC,H,L,T2FIR0.71
DPND-PHENYLALANINEA2FMZ0.71
DPND-PHENYLALANINEA1YL90.71
DPND-PHENYLALANINEI1HUT0.71
DPND-PHENYLALANINEI1FXY0.71
DPND-PHENYLALANINEA1YL80.71
DPND-PHENYLALANINEC,H,L1QFK0.71
DPND-PHENYLALANINEP1MCB0.71
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.73
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE
A2GG00.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.7
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.74
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE
A1FKH0.73
MEAN-METHYLPHENYLALANINEA2PIL0.74
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.74
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.74
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.74
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.74
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.74
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.74
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.74
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.74
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID
A,B1NJS0.7
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID
A,B,C,D1RBY0.7
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID
A,B,C,D1RBQ0.7
ALRALRESTATINA1AZ10.73
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.72