MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255614

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
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.72
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.87
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.78
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.78
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.78
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.78
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.78
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.78
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.78
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.79
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.79
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.79
NFA	PHENYLALANINE AMIDE	A	2A4O	0.79
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.79
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.79
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.79
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.79
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.73
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.73
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	1
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	1
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.73
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.75
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.75
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.75
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.75
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.74
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.71
PHL	L-PHENYLALANINOL	A,B	1JOH	0.79
PHL	L-PHENYLALANINOL	I	3APR	0.79
PHL	L-PHENYLALANINOL	A	1DLZ	0.79
PHL	L-PHENYLALANINOL	A	1IH9	0.79
PHL	L-PHENYLALANINOL	A	1OB4	0.79
PHL	L-PHENYLALANINOL	I	2ER6	0.79
PHL	L-PHENYLALANINOL	A	1R9U	0.79
PHL	L-PHENYLALANINOL	A	1OB7	0.79
PHL	L-PHENYLALANINOL	A,B	1OB6	0.79
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.79
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.77
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.81
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.84
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.8
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.8
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.8
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.74
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.72
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.82
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.82
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.82
2HT	3-methylbenzonitrile	A,B	3F88	0.73
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.79
34A	3,4-DIMETHYLANILINE	A	1L4K	0.73
IPO	PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID	A	1IGB	0.72
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	3FIV	0.71
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	2FIV	0.71
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.76
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.78
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.78
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.78
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.78
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.78
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.78
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.78
CPU		A,B	1CR6	0.78
MBN	TOLUENE	A,B	3D7O	0.75
MBN	TOLUENE	A,B	1R1X	0.75
MBN	TOLUENE	A,B	1JLX	0.75
MBN	TOLUENE	A,B,C,D	3D17	0.75
MBN	TOLUENE	A,B	2VRL	0.75
MBN	TOLUENE	A,I	2Z3E	0.75
MBN	TOLUENE	A,B	1YZI	0.75
MBN	TOLUENE	A,B	2DN1	0.75
MBN	TOLUENE	A,B	3EN1	0.75
PCS	PHENYLALANYLMETHYLCHLORIDE	B,D	1DLK	0.73
PCS	PHENYLALANYLMETHYLCHLORIDE	A	1XQX	0.73
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.91
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.91
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.91
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.91
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.91
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.91
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.91
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.91
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1MU0	0.7
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1XRL	0.7
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.73
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.73
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.8
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.96
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.96
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.96
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.96
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.74
FPR	PROPYLBENZENE	C	1RHK	0.78
BDB		A,B	1KE3	0.7
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.75
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.75
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.75
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.75
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.75
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.72
0A9	methyl L-phenylalaninate	A	1AY2	0.72
0A9	methyl L-phenylalaninate	I	5ER1	0.72
0A9	methyl L-phenylalaninate	I,P	1HDT	0.72
271	N-methyl-1-phenylmethanamine	X	2RBT	0.81
HPH	PHENYLALANINDIOL	I	1E5O	0.75
HPH	PHENYLALANINDIOL	A,B	1ODX	0.75
HPH	PHENYLALANINDIOL	A,B	1MTB	0.75
HPH	PHENYLALANINDIOL	A,B	2FGV	0.75
HPH	PHENYLALANINDIOL	A	1ODW	0.75
HPH	PHENYLALANINDIOL	A,B	2FGU	0.75
HPH	PHENYLALANINDIOL	A,B	1HXB	0.75
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.81
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.75
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
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.72
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.72
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.72
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.84
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.84
I4B	ISOBUTYLBENZENE	A	184L	0.79
PRY	2-PROPYL-ANILINE	A	1OWY	0.76
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.74
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.79
PXY	PARA-XYLENE	A	187L	0.76
PXY	PARA-XYLENE	A	225L	0.76
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.8
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.74
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.74
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.96
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.96
ABN	BENZYLAMINE	D,H	2HXC	0.84
ABN	BENZYLAMINE	A,I	1A86	0.84
ABN	BENZYLAMINE	A	1UTN	0.84
ABN	BENZYLAMINE	A	1N6X	0.84
ABN	BENZYLAMINE	A	2BZA	0.84
ABN	BENZYLAMINE	A	2EUS	0.84
ABN	BENZYLAMINE	A	1N6Y	0.84
ABN	BENZYLAMINE	A	1UTJ	0.84
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.72
DPK	DEPRENYL	A,B	2BYB	0.84
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.75
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.75
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.75
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.82
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.73
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
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
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.88
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.76
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.7
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.8
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.8
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.79
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.79
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.79
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.73
PYL	PHENYLETHANE	C	1B07	0.78
PYL	PHENYLETHANE	A,B	2VRM	0.78
PYL	PHENYLETHANE	A	1NHB	0.78
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.91
DEN	INDENE	A	183L	0.71
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE	A,B	2VZ2	0.76
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.8
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.73
N4B	N-BUTYLBENZENE	A	186L	0.78
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.74
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.93
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.93
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.71
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.93
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.93
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.71
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.71
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.71
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.76
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.71