MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01243695

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
CRP	((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE	A	2STD	0.72
CRP	((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE	A,B,C	7STD	0.72
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.76
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.76
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.76
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.76
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.76
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.72
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.72
LPF	1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	7GCH	0.71
APL	N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE	B,C	1GG6	0.73
SP8	N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide	A,B	3CNS	0.72
M25	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	A,B	2NMX	0.76
M25	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	A	2NNS	0.76
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.75
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.75
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.75
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.75
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.75
F1H	N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide	A	2ZJH	0.71
RRT	(R)-RETRO-THIORPHAN	E	1Z9G	0.72
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.76
TIO	(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE	E	1ZDP	0.71
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.71
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.84
DI4	AC-(D)PHE-PRO-BOROHOMOLYS-OH	H	1LHF	0.7
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.74
FAF	2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE	B,C	1GGD	0.73
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.78
V36	L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID	B,C	1VGC	0.83
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.75
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.75
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.75
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.75
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.75
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.73
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.73
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.73
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.73
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.87
CPU		A,B	1CR6	0.77
IPP	(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID	A,B	1BLS	0.73
CLD	D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE	A	1AVT	0.7
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.78
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.78
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.78
DI2	AC-(D)PHE-PRO-BOROLYS-OH	H	1LHD	0.7
CLB	D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE	A	1VSB	0.7
DI5	AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH	H	1LHG	0.71
HIN	(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE	B	2GMT	0.77
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.73
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.73
PCS	PHENYLALANYLMETHYLCHLORIDE	B,D	1DLK	0.76
PCS	PHENYLALANYLMETHYLCHLORIDE	A	1XQX	0.76
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.76
PLH	METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID	A	1HFC	0.71
PLH	METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID	A	1MNC	0.71
271	N-methyl-1-phenylmethanamine	X	2RBT	0.73
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.74
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	B,C	1GG6	0.75
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	6GCH	0.75
JNH	1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	I,J	2AJL	0.7
V35	D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID	B,C	2VGC	0.83
DPK	DEPRENYL	A,B	2BYB	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.74
NFA	PHENYLALANINE AMIDE	A	2A4O	0.74
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.74
PHA	PHENYLALANINAL	A,B	1OB2	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.7
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	0.7
PHA	PHENYLALANINAL	P	3SGA	0.7
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.7
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	0.7
PHA	PHENYLALANINAL	A,B	1KDV	0.7
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	0.7
PHA	PHENYLALANINAL	A,B	1KDY	0.7
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.7
PHA	PHENYLALANINAL	A,B	1KE2	0.7
0Z6	D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}- 1-(chloroacetyl)butyl]-L-phenylalaninamide	H,L	3ELA	0.7
SP9	N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide	A,B	3CNT	0.72
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.72
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.72
5FH	(5S)-5-benzylimidazolidine-2,4- dione	A	2JLO	0.71
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.76