MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213126

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.73
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.73
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.73
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.73
FAF	2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE	B,C	1GGD	0.7
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.71
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	B,C	1GG6	0.71
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	6GCH	0.71
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.72
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.7
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.75
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.75
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.76
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.7
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.74
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.74
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.74
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.74
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.74
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.72
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.8
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.8
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.8
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.71
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.73
BDB		A,B	1KE3	0.73
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.78
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.83
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.83
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.83
NFA	PHENYLALANINE AMIDE	A	2A4O	0.83
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.83
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.83
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.83
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.83
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.71
JNH	1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	I,J	2AJL	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.71
605	4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide	A,B	3D4L	0.73
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.72
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.8
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.74
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	A,B	1A5H	0.74
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	T	1V2N	0.74
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	3FIV	0.83
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	2FIV	0.83
PCS	PHENYLALANYLMETHYLCHLORIDE	B,D	1DLK	0.74
PCS	PHENYLALANYLMETHYLCHLORIDE	A	1XQX	0.74
MIN	METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE	H,I	1TOM	0.7
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.73
IPP	(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID	A,B	1BLS	0.73
PHA	PHENYLALANINAL	A,B	1OB2	0.79
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.79
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.79
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.79
PHA	PHENYLALANINAL	P	3SGA	0.79
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.79
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.79
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.79
PHA	PHENYLALANINAL	A,B	1KDV	0.79
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.79
PHA	PHENYLALANINAL	A,B	1KDY	0.79
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.79
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.79
PHA	PHENYLALANINAL	A,B	1KE2	0.79
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.73
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.73
AC0	1-PHENYLETHANONE	A	1ZK1	0.71
AC0	1-PHENYLETHANONE	A	1ZK4	0.71
IPO	PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID	A	1IGB	0.76
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.74
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.71
4PI	N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE	A,B	2NSD	0.7
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.82
1LP	TRANYLCYPROMINE	A,B	1OJB	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.71
44U	beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide	B,D	3DA9	0.74
BFL		A,B	1Q4G	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.76
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.76
DPN	D-PHENYLALANINE	P	1MCS	0.71
DPN	D-PHENYLALANINE	A	1GOE	0.71
DPN	D-PHENYLALANINE	A	2RM9	0.71
DPN	D-PHENYLALANINE	A	1SOC	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.71
DPN	D-PHENYLALANINE	I	1ABJ	0.71
DPN	D-PHENYLALANINE	P	1DWE	0.71
DPN	D-PHENYLALANINE	I,M	1HLT	0.71
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.71
DPN	D-PHENYLALANINE	I,T	1TMB	0.71
DPN	D-PHENYLALANINE	A	2JRY	0.71
DPN	D-PHENYLALANINE	A	2SOC	0.71
DPN	D-PHENYLALANINE	A	2YYF	0.71
DPN	D-PHENYLALANINE	I	2HGT	0.71
DPN	D-PHENYLALANINE	A,D	2Q3I	0.71
DPN	D-PHENYLALANINE	A,P	1MCD	0.71
DPN	D-PHENYLALANINE	P	1HAO	0.71
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.71
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.71
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.71
DPN	D-PHENYLALANINE	P	1NRR	0.71
DPN	D-PHENYLALANINE	I	1PPB	0.71
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.71
DPN	D-PHENYLALANINE	I	2HPP	0.71
DPN	D-PHENYLALANINE	B,C	2OD3	0.71
DPN	D-PHENYLALANINE	A	1B0Q	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.71
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.71
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.71
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.71
DPN	D-PHENYLALANINE	A	1GO9	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.71
DPN	D-PHENYLALANINE	P	1MCF	0.71
DPN	D-PHENYLALANINE	A	2RME	0.71
DPN	D-PHENYLALANINE	H,I	1TMT	0.71
DPN	D-PHENYLALANINE	I	1ABI	0.71
DPN	D-PHENYLALANINE	R	1NRQ	0.71
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.71
DPN	D-PHENYLALANINE	A,B	2Q33	0.71
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.71
DPN	D-PHENYLALANINE	P	1MCE	0.71
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.71
DPN	D-PHENYLALANINE	A	2RMI	0.71
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.71
DPN	D-PHENYLALANINE	A	1W7M	0.71
DPN	D-PHENYLALANINE	P	1HAP	0.71
DPN	D-PHENYLALANINE	A,B	1ORF	0.71
DPN	D-PHENYLALANINE	I	1IHS	0.71
DPN	D-PHENYLALANINE	P	1MCC	0.71
DPN	D-PHENYLALANINE	A	2RMD	0.71
DPN	D-PHENYLALANINE	A	2JQB	0.71
DPN	D-PHENYLALANINE	I	2HPQ	0.71
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.71
DPN	D-PHENYLALANINE	A,I	1CVR	0.71
DPN	D-PHENYLALANINE	L,P	1AUT	0.71
DPN	D-PHENYLALANINE	P	1MCI	0.71
DPN	D-PHENYLALANINE	H,I	3F6U	0.71
DPN	D-PHENYLALANINE	A	1BFW	0.71
DPN	D-PHENYLALANINE	H,I	1HAI	0.71
DPN	D-PHENYLALANINE	B,C	2THF	0.71
DPN	D-PHENYLALANINE	I	1IHT	0.71
DPN	D-PHENYLALANINE	A,P	1MCJ	0.71
DPN	D-PHENYLALANINE	A	1TKH	0.71
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.71
DPN	D-PHENYLALANINE	A	2FMZ	0.71
DPN	D-PHENYLALANINE	A	1YL9	0.71
DPN	D-PHENYLALANINE	I	1HUT	0.71
DPN	D-PHENYLALANINE	I	1FXY	0.71
DPN	D-PHENYLALANINE	A	1YL8	0.71
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.71
DPN	D-PHENYLALANINE	P	1MCB	0.71
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.75
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.75
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.75
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.75
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.72
TIO	(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE	E	1ZDP	0.7
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.7
0A9	methyl L-phenylalaninate	A	1AY2	0.71
0A9	methyl L-phenylalaninate	I	5ER1	0.71
0A9	methyl L-phenylalaninate	I,P	1HDT	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.71
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.76
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.77
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.77
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.7
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.71
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.71
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.72
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.72
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.72